CID 71312263

Gertp

Structural Information

Molecular Formula
C10H21O10P3
SMILES
CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)OP(=O)(O)O)/C)C
InChI
InChI=1S/C10H21O10P3/c1-9(2)5-4-6-10(3)7-8-18-22(14,15)20-23(16,17)19-21(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H,16,17)(H2,11,12,13)/b10-7+
InChIKey
KXWMBFDSASOMND-JXMROGBWSA-N
Compound name
[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.03476 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.04204 185.8
[M+Na]+ 417.02398 186.8
[M-H]- 393.02748 188.6
[M+NH4]+ 412.06858 190.0
[M+K]+ 432.99792 177.9
[M+H-H2O]+ 377.03202 160.2
[M+HCOO]- 439.03296 200.1
[M+CH3COO]- 453.04861 209.0
[M+Na-2H]- 415.00943 170.4
[M]+ 394.03421 182.4
[M]- 394.03531 182.4
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.