CID 101857689

17-dimethylarsinoyl-9z-heptadecenoic acid

Structural Information

Molecular Formula
C19H37AsO3
SMILES
C[As](=O)(C)CCCCCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C19H37AsO3/c1-20(2,23)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22/h3-4H,5-18H2,1-2H3,(H,21,22)/b4-3-
InChIKey
QLUKWCNWKNZIQN-ARJAWSKDSA-N
Compound name
(Z)-17-dimethylarsorylheptadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19586 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20314 199.7
[M+Na]+ 411.18508 201.4
[M-H]- 387.18858 195.9
[M+NH4]+ 406.22968 212.7
[M+K]+ 427.15902 196.8
[M+H-H2O]+ 371.19312 192.9
[M+HCOO]- 433.19406 215.5
[M+CH3COO]- 447.20971 212.5
[M+Na-2H]- 409.17053 197.4
[M]+ 388.19531 205.5
[M]- 388.19641 205.5
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.