CID 15667157

4-dimethylarsenobutanoic acid

Structural Information

Molecular Formula
C6H13AsO3
SMILES
C[As](=O)(C)CCCC(=O)O
InChI
InChI=1S/C6H13AsO3/c1-7(2,10)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
YGQBCYUQVJWELM-UHFFFAOYSA-N
Compound name
4-dimethylarsorylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01534 141.8
[M+Na]+ 230.99728 148.5
[M-H]- 207.00078 140.4
[M+NH4]+ 226.04188 162.0
[M+K]+ 246.97122 147.8
[M+H-H2O]+ 191.00532 137.3
[M+HCOO]- 253.00626 161.7
[M+CH3COO]- 267.02191 174.9
[M+Na-2H]- 228.98273 146.2
[M]+ 208.00751 143.4
[M]- 208.00861 143.4
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.