CID 5280900

Nerolidyl diphosphate

Structural Information

Molecular Formula
C15H28O7P2
SMILES
CC(=CCC/C(=C/CCC(C)(C=C)OP(=O)(O)OP(=O)(O)O)/C)C
InChI
InChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/b14-11+
InChIKey
SDXCRASCLFBFND-SDNWHVSQSA-N
Compound name
phosphono [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

382.131 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13828 179.6
[M+Na]+ 405.12022 183.3
[M-H]- 381.12372 180.3
[M+NH4]+ 400.16482 183.7
[M+K]+ 421.09416 177.4
[M+H-H2O]+ 365.12826 161.1
[M+HCOO]- 427.12920 194.2
[M+CH3COO]- 441.14485 211.8
[M+Na-2H]- 403.10567 167.5
[M]+ 382.13045 177.8
[M]- 382.13155 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe