CID 46847

Tl-1504

Structural Information

Molecular Formula
C13H21AsNO2
SMILES
CC[As+](C)(CC)C1=CC=CC(=C1)OC(=O)NC
InChI
InChI=1S/C13H20AsNO2/c1-5-14(3,6-2)11-8-7-9-12(10-11)17-13(16)15-4/h7-10H,5-6H2,1-4H3/p+1
InChIKey
XWPVCPYBCJRTAS-UHFFFAOYSA-O
Compound name
diethyl-methyl-[3-(methylcarbamoyloxy)phenyl]arsanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.07883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08611 168.7
[M+Na]+ 321.06805 174.1
[M-H]- 297.07155 171.9
[M+NH4]+ 316.11265 185.7
[M+K]+ 337.04199 166.5
[M+H-H2O]+ 281.07609 164.7
[M+HCOO]- 343.07703 189.8
[M+CH3COO]- 357.09268 190.5
[M+Na-2H]- 319.05350 174.5
[M]+ 298.07828 169.6
[M]- 298.07938 169.6
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.