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

68
Patents

219.99017 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99745 143.2
[M+Na]+ 242.97939 151.0
[M-H]- 218.98289 140.4
[M+NH4]+ 238.02399 161.8
[M+K]+ 258.95333 153.4
[M+H-H2O]+ 202.98743 134.8
[M+HCOO]- 264.98837 175.4
[M+CH3COO]- 279.00402 183.2
[M+Na-2H]- 240.96484 148.2
[M]+ 219.98962 152.2
[M]- 219.99072 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