CID 5462166

[(e)-3,8-dimethyldec-7-enyl] phosphono hydrogen phosphate

Structural Information

Molecular Formula
C12H26O7P2
SMILES
CC/C(=C/CCCC(C)CCOP(=O)(O)OP(=O)(O)O)/C
InChI
InChI=1S/C12H26O7P2/c1-4-11(2)7-5-6-8-12(3)9-10-18-21(16,17)19-20(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H,16,17)(H2,13,14,15)/b11-7+
InChIKey
FFBTVOMODCZDNV-YRNVUSSQSA-N
Compound name
[(E)-3,8-dimethyldec-7-enyl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1154 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12268 177.7
[M+Na]+ 367.10462 180.9
[M-H]- 343.10812 175.3
[M+NH4]+ 362.14922 179.6
[M+K]+ 383.07856 173.2
[M+H-H2O]+ 327.11266 161.0
[M+HCOO]- 389.11360 190.9
[M+CH3COO]- 403.12925 205.1
[M+Na-2H]- 365.09007 165.1
[M]+ 344.11485 174.3
[M]- 344.11595 174.3
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

No patent data available for this compound.