CID 86091218

3-thiodimethylarsenopropanoic acid

Structural Information

Molecular Formula
C5H11AsO2S
SMILES
C[As](=S)(C)CCC(=O)O
InChI
InChI=1S/C5H11AsO2S/c1-6(2,9)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
ICLSKJLFAMHPGA-UHFFFAOYSA-N
Compound name
3-dimethylarsinothioylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.96957 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97685 141.7
[M+Na]+ 232.95879 148.6
[M-H]- 208.96229 140.6
[M+NH4]+ 228.00339 162.3
[M+K]+ 248.93273 146.6
[M+H-H2O]+ 192.96683 137.1
[M+HCOO]- 254.96777 156.2
[M+CH3COO]- 268.98342 173.8
[M+Na-2H]- 230.94424 143.1
[M]+ 209.96902 143.5
[M]- 209.97012 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.