CID 138454166

11-dimethylarsinoyl-undecanoic acid

Structural Information

Molecular Formula
C13H27AsO3
SMILES
C[As](=O)(C)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C13H27AsO3/c1-14(2,17)12-10-8-6-4-3-5-7-9-11-13(15)16/h3-12H2,1-2H3,(H,15,16)
InChIKey
XESWZZJIQNYKSL-UHFFFAOYSA-N
Compound name
11-dimethylarsorylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12488 174.2
[M+Na]+ 329.10682 178.0
[M-H]- 305.11032 171.5
[M+NH4]+ 324.15142 190.5
[M+K]+ 345.08076 175.5
[M+H-H2O]+ 289.11486 168.4
[M+HCOO]- 351.11580 191.8
[M+CH3COO]- 365.13145 196.1
[M+Na-2H]- 327.09227 174.9
[M]+ 306.11705 178.5
[M]- 306.11815 178.5
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.