CID 11148070

Dimethylarsinoylacetic acid

Structural Information

Molecular Formula
C4H9AsO3
SMILES
C[As](=O)(C)CC(=O)O
InChI
InChI=1S/C4H9AsO3/c1-5(2,8)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKey
WDBNOSZAJMWOEF-UHFFFAOYSA-N
Compound name
2-dimethylarsorylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

179.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98404 132.3
[M+Na]+ 202.96598 139.9
[M-H]- 178.96948 131.3
[M+NH4]+ 198.01058 153.7
[M+K]+ 218.93992 139.8
[M+H-H2O]+ 162.97402 128.3
[M+HCOO]- 224.97496 152.9
[M+CH3COO]- 238.99061 168.8
[M+Na-2H]- 200.95143 137.8
[M]+ 179.97621 133.3
[M]- 179.97731 133.3
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