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]+ 244.097306 150.5
[M+Na]+ 266.079248 158.5
[M-H]- 242.082754 156.1
[M+NH4]+ 261.123853 169.4
[M+K]+ 282.053188 150.7
[M+H-H2O]+ 226.087290 148.2
[M+HCOO]- 288.088231 171.0
[M+CH3COO]- 302.103881 191.7
[M+Na-2H]- 264.064696 158.7
[M]+ 243.08948142 153.4
[M]- 243.09057858 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.