CID 46849

Tl-1452

Structural Information

Molecular Formula
C11H17AsNO2
SMILES
CNC(=O)OC1=CC=CC=C1[As+](C)(C)C
InChI
InChI=1S/C11H16AsNO2/c1-12(2,3)9-7-5-6-8-10(9)15-11(14)13-4/h5-8H,1-4H3/p+1
InChIKey
RZUZCQXWCYPIAU-UHFFFAOYSA-O
Compound name
trimethyl-[2-(methylcarbamoyloxy)phenyl]arsanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.04752 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05480 159.0
[M+Na]+ 293.03674 165.3
[M-H]- 269.04024 162.7
[M+NH4]+ 288.08134 177.2
[M+K]+ 309.01068 158.3
[M+H-H2O]+ 253.04478 155.5
[M+HCOO]- 315.04572 180.9
[M+CH3COO]- 329.06137 184.4
[M+Na-2H]- 291.02219 166.0
[M]+ 270.04697 159.3
[M]- 270.04807 159.3
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.