CID 46022

63981-88-4

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 150.5
[M+Na]+ 266.07925 158.5
[M-H]- 242.08275 156.1
[M+NH4]+ 261.12385 169.4
[M+K]+ 282.05319 150.7
[M+H-H2O]+ 226.08729 148.2
[M+HCOO]- 288.08823 171.0
[M+CH3COO]- 302.10388 191.7
[M+Na-2H]- 264.06470 158.7
[M]+ 243.08948 153.4
[M]- 243.09058 153.4
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.