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
3
Annotation Hits

9
References

21255
Patents

124.02893 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.036206 126.5
[M+Na]+ 147.018148 134.4
[M-H]- 123.021654 123.4
[M+NH4]+ 142.062753 148.1
[M+K]+ 162.992088 133.9
[M+H-H2O]+ 107.026190 121.0
[M+HCOO]- 169.027131 152.7
[M+CH3COO]- 183.042781 165.0
[M+Na-2H]- 145.003596 131.0
[M]+ 124.02838142 127.6
[M]- 124.02947858 127.6
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