CID 116843

Trimethyl pyrophosphate

Structural Information

Molecular Formula
C3H10O7P2
SMILES
COP(=O)(O)OP(=O)(OC)OC
InChI
InChI=1S/C3H10O7P2/c1-7-11(4,5)10-12(6,8-2)9-3/h1-3H3,(H,4,5)
InChIKey
KTOCGRDHTCKGRC-UHFFFAOYSA-N
Compound name
[hydroxy(methoxy)phosphoryl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

219.99017 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.997446 143.2
[M+Na]+ 242.979388 151.0
[M-H]- 218.982894 140.4
[M+NH4]+ 238.023993 161.8
[M+K]+ 258.953328 153.4
[M+H-H2O]+ 202.987430 134.8
[M+HCOO]- 264.988371 175.4
[M+CH3COO]- 279.004021 183.2
[M+Na-2H]- 240.964836 148.2
[M]+ 219.98962142 152.2
[M]- 219.99071858 152.2
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