CID 138454165

9-dimethylarsinoyl-nonanoic acid

Structural Information

Molecular Formula
C11H23AsO3
SMILES
C[As](=O)(C)CCCCCCCCC(=O)O
InChI
InChI=1S/C11H23AsO3/c1-12(2,15)10-8-6-4-3-5-7-9-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKey
KCRYGWREJDRGBG-UHFFFAOYSA-N
Compound name
9-dimethylarsorylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09358 165.0
[M+Na]+ 301.07552 169.7
[M-H]- 277.07902 162.7
[M+NH4]+ 296.12012 182.5
[M+K]+ 317.04946 167.7
[M+H-H2O]+ 261.08356 159.6
[M+HCOO]- 323.08450 183.3
[M+CH3COO]- 337.10015 190.1
[M+Na-2H]- 299.06097 166.8
[M]+ 278.08575 168.6
[M]- 278.08685 168.6
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.