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 163.6
[M+Na]+ 321.06805 176.0
[M+NH4]+ 316.11265 171.7
[M+K]+ 337.04199 170.4
[M-H]- 297.07155 166.7
[M+Na-2H]- 319.05350 169.5
[M]+ 298.07828 166.5
[M]- 298.07938 166.5
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.