CID 448670

Propyl trihydrogen diphosphate

Structural Information

Molecular Formula
C3H10O7P2
SMILES
CCCOP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)
InChIKey
JCWMAIAFQQTSAX-UHFFFAOYSA-N
Compound name
phosphono propyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

219.99017 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99745 146.6
[M+Na]+ 242.97939 153.4
[M-H]- 218.98289 140.8
[M+NH4]+ 238.02399 163.6
[M+K]+ 258.95333 154.0
[M+H-H2O]+ 202.98743 138.3
[M+HCOO]- 264.98837 175.6
[M+CH3COO]- 279.00402 178.3
[M+Na-2H]- 240.96484 150.2
[M]+ 219.98962 151.5
[M]- 219.99072 151.5
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.