CID 101857685

15-dimethylarsinoyl pentadecanoic acid

Structural Information

Molecular Formula
C17H35AsO3
SMILES
C[As](=O)(C)CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H35AsO3/c1-18(2,21)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)20/h3-16H2,1-2H3,(H,19,20)
InChIKey
RJOXDLOOIZACDO-UHFFFAOYSA-N
Compound name
15-dimethylarsorylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1802 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18748 192.3
[M+Na]+ 385.16942 194.4
[M-H]- 361.17292 188.8
[M+NH4]+ 380.21402 206.4
[M+K]+ 401.14336 190.9
[M+H-H2O]+ 345.17746 185.7
[M+HCOO]- 407.17840 208.6
[M+CH3COO]- 421.19405 208.1
[M+Na-2H]- 383.15487 190.9
[M]+ 362.17965 198.2
[M]- 362.18075 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.