CID 66944

Propylarsonic acid

Structural Information

Molecular Formula
C3H9AsO3
SMILES
CCC[As](=O)(O)O
InChI
InChI=1S/C3H9AsO3/c1-2-3-4(5,6)7/h2-3H2,1H3,(H2,5,6,7)
InChIKey
RVQXTZBOXCETGD-UHFFFAOYSA-N
Compound name
propylarsonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

43
Patents

167.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98404 130.5
[M+Na]+ 190.96598 137.9
[M-H]- 166.96948 128.1
[M+NH4]+ 186.01058 151.7
[M+K]+ 206.93992 137.2
[M+H-H2O]+ 150.97402 126.6
[M+HCOO]- 212.97496 150.6
[M+CH3COO]- 226.99061 163.3
[M+Na-2H]- 188.95143 137.1
[M]+ 167.97621 130.4
[M]- 167.97731 130.4
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