CID 52506

Isopropyl isobutyl arsinic acid

Structural Information

Molecular Formula
C7H17AsO2
SMILES
CC(C)C[As](=O)(C(C)C)O
InChI
InChI=1S/C7H17AsO2/c1-6(2)5-8(9,10)7(3)4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKey
WXFZPIVKASHKGW-UHFFFAOYSA-N
Compound name
2-methylpropyl(propan-2-yl)arsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05173 144.7
[M+Na]+ 231.03367 150.6
[M-H]- 207.03717 143.2
[M+NH4]+ 226.07827 165.1
[M+K]+ 247.00761 150.2
[M+H-H2O]+ 191.04171 140.3
[M+HCOO]- 253.04265 162.9
[M+CH3COO]- 267.05830 177.8
[M+Na-2H]- 229.01912 147.3
[M]+ 208.04390 145.3
[M]- 208.04500 145.3
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.