CID 204484

Propylphosphonic acid

Structural Information

Molecular Formula
C3H9O3P
SMILES
CCCP(=O)(O)O
InChI
InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKey
NSETWVJZUWGCKE-UHFFFAOYSA-N
Compound name
propylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

8817
Patents

124.02893 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03621 124.2
[M+Na]+ 147.01815 132.8
[M+NH4]+ 142.06275 130.6
[M+K]+ 162.99209 129.9
[M-H]- 123.02165 121.0
[M+Na-2H]- 145.00360 126.2
[M]+ 124.02838 124.1
[M]- 124.02948 124.1
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