CID 170946

Monoisotridecyl phosphate

Structural Information

Molecular Formula

C₁₃H₂₉O₄P

SMILES

CC(C)CCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C13H29O4P/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-18(14,15)16/h13H,3-12H2,1-2H3,(H2,14,15,16)

InChIKey

ASBWGYODEQCTNZ-UHFFFAOYSA-N

Compound name

11-methyldodecyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 371
Patents: 280.18036 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

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]+	281.18764	176.2
[M+Na]+	303.16958	179.5
[M-H]-	279.17308	171.3
[M+NH4]+	298.21418	191.5
[M+K]+	319.14352	177.6
[M+H-H2O]+	263.17762	168.5
[M+HCOO]-	325.17856	198.3
[M+CH3COO]-	339.19421	198.3
[M+Na-2H]-	301.15503	174.5
[M]+	280.17981	181.9
[M]-	280.18091	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe