CID 101891710

19-dimethylarsinoyl-nonadecanoic acid

Structural Information

Molecular Formula
C21H43AsO3
SMILES
C[As](=O)(C)CCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C21H43AsO3/c1-22(2,25)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(23)24/h3-20H2,1-2H3,(H,23,24)
InChIKey
DQMMGFZOXXMBBB-UHFFFAOYSA-N
Compound name
19-dimethylarsorylnonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.24283 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25011 210.1
[M+Na]+ 441.23205 210.5
[M-H]- 417.23555 205.8
[M+NH4]+ 436.27665 210.8
[M+K]+ 457.20599 206.0
[M+H-H2O]+ 401.24009 202.7
[M+HCOO]- 463.24103 225.0
[M+CH3COO]- 477.25668 219.9
[M+Na-2H]- 439.21750 206.7
[M]+ 418.24228 217.5
[M]- 418.24338 217.5
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.