CID 74188

Propyl dihydrogen phosphate

Structural Information

Molecular Formula
C3H9O4P
SMILES
CCCOP(=O)(O)O
InChI
InChI=1S/C3H9O4P/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKey
MHZDONKZSXBOGL-UHFFFAOYSA-N
Compound name
propyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

5358
Patents

140.02385 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.031126 128.8
[M+Na]+ 163.013068 136.5
[M-H]- 139.016574 125.6
[M+NH4]+ 158.057673 149.7
[M+K]+ 178.987008 136.6
[M+H-H2O]+ 123.021110 123.0
[M+HCOO]- 185.022051 155.2
[M+CH3COO]- 199.037701 167.2
[M+Na-2H]- 160.998516 133.5
[M]+ 140.02330142 131.4
[M]- 140.02439858 131.4
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