CID 47365

Arsenobetaine

Structural Information

Molecular Formula
C5H12AsO2
SMILES
C[As+](C)(C)CC(=O)O
InChI
InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
InChIKey
SPTHHTGLGVZZRH-UHFFFAOYSA-O
Compound name
carboxymethyl(trimethyl)arsanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

158
References

321
Patents

179.00533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.01261 134.8
[M+Na]+ 201.99455 141.9
[M-H]- 177.99805 134.1
[M+NH4]+ 197.03915 156.2
[M+K]+ 217.96849 136.3
[M+H-H2O]+ 162.00259 133.8
[M+HCOO]- 224.00353 154.5
[M+CH3COO]- 238.01918 163.8
[M+Na-2H]- 199.98000 142.2
[M]+ 179.00478 134.0
[M]- 179.00588 134.0
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.