CID 86091224

4-thiodimethylarsenobutanoic acid

Structural Information

Molecular Formula
C6H13AsO2S
SMILES
C[As](=S)(C)CCCC(=O)O
InChI
InChI=1S/C6H13AsO2S/c1-7(2,10)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
LPOQZCAOBCMROQ-UHFFFAOYSA-N
Compound name
4-dimethylarsinothioylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99249 146.2
[M+Na]+ 246.97443 152.7
[M-H]- 222.97793 144.9
[M+NH4]+ 242.01903 166.3
[M+K]+ 262.94837 150.4
[M+H-H2O]+ 206.98247 141.4
[M+HCOO]- 268.98341 160.4
[M+CH3COO]- 282.99906 176.8
[M+Na-2H]- 244.95988 147.1
[M]+ 223.98466 148.4
[M]- 223.98576 148.4
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.