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

70
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

literature stripe

Patent stripe

patents stripe