CID 2513

Cacodylic acid

Structural Information

Molecular Formula
C2H7AsO2
SMILES
C[As](=O)(C)O
InChI
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
InChIKey
OGGXGZAMXPVRFZ-UHFFFAOYSA-N
Compound name
dimethylarsinic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

858
References

78279
Patents

137.9662 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.973476 121.8
[M+Na]+ 160.955418 130.2
[M-H]- 136.958924 121.1
[M+NH4]+ 156.000023 145.1
[M+K]+ 176.929358 130.3
[M+H-H2O]+ 120.963460 118.3
[M+HCOO]- 182.964401 143.6
[M+CH3COO]- 196.980051 160.8
[M+Na-2H]- 158.940866 129.6
[M]+ 137.96565142 121.9
[M]- 137.96674858 121.9
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