CID 21778054

3-dimethylarsinoyl-propionic acid

Structural Information

Molecular Formula
C5H11AsO3
SMILES
C[As](=O)(C)CCC(=O)O
InChI
InChI=1S/C5H11AsO3/c1-6(2,9)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
WRRCIDKLWQEOMZ-UHFFFAOYSA-N
Compound name
3-dimethylarsorylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.99970 137.1
[M+Na]+ 216.98164 144.2
[M-H]- 192.98514 135.9
[M+NH4]+ 212.02624 157.9
[M+K]+ 232.95558 143.8
[M+H-H2O]+ 176.98968 132.8
[M+HCOO]- 238.99062 157.3
[M+CH3COO]- 253.00627 171.9
[M+Na-2H]- 214.96709 142.0
[M]+ 193.99187 138.3
[M]- 193.99297 138.3
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.