CID 46022

Carbamic acid, methyl-, (2-chloro-5-(trimethylammonio)phenyl) ester, iodide

Structural Information

Molecular Formula
C11H16ClN2O2
SMILES
CNC(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-13-11(15)16-10-7-8(14(2,3)4)5-6-9(10)12/h5-7H,1-4H3/p+1
InChIKey
FFWXIRKOAYJUFH-UHFFFAOYSA-O
Compound name
[4-chloro-3-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.09003 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09731 150.9
[M+Na]+ 266.07925 164.7
[M+NH4]+ 261.12385 160.0
[M+K]+ 282.05319 159.4
[M-H]- 242.08275 155.2
[M+Na-2H]- 264.06470 158.5
[M]+ 243.08948 154.7
[M]- 243.09058 154.7
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.