PubChemLite - Farnesyl triphosphate (C15H29O10P3)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)OP(=O)(O)O)/C)/C)C

InChI

InChI=1S/C15H29O10P3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-23-27(19,20)25-28(21,22)24-26(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)(H2,16,17,18)/b14-9+,15-11+

InChIKey

QIOOKVHMPPJVHS-YFVJMOTDSA-N

Compound name

[hydroxy(phosphonooxy)phosphoryl] [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	463.10463	202.2
[M+Na]+	485.08657	203.2
[M-H]-	461.09007	205.3
[M+NH4]+	480.13117	208.0
[M+K]+	501.06051	196.5
[M+H-H2O]+	445.09461	176.5
[M+HCOO]-	507.09555	212.9
[M+CH3COO]-	521.11120	222.5
[M+Na-2H]-	483.07202	185.5
[M]+	462.09680	199.0
[M]-	462.09790	199.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.10463

202.2

[M+Na]+

485.08657

203.2

[M-H]-

461.09007

205.3

[M+NH4]+

480.13117

208.0

[M+K]+

501.06051

196.5

[M+H-H2O]+

445.09461

176.5

[M+HCOO]-

507.09555

212.9

[M+CH3COO]-

521.11120

222.5

[M+Na-2H]-

483.07202

185.5

[M]+

462.09680

199.0

[M]-

462.09790

199.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Farnesyl triphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe