CID 36546

33531-64-5

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCN(C2)C
InChI
InChI=1S/C13H17ClN2O2/c1-9-4-3-5-11(14)12(9)15-13(17)18-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17)
InChIKey
NIQMFMMHMRRKLU-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 161.4
[M+Na]+ 291.08709 168.9
[M-H]- 267.09059 166.7
[M+NH4]+ 286.13169 179.1
[M+K]+ 307.06103 164.8
[M+H-H2O]+ 251.09513 154.4
[M+HCOO]- 313.09607 178.7
[M+CH3COO]- 327.11172 197.1
[M+Na-2H]- 289.07254 162.0
[M]+ 268.09732 162.4
[M]- 268.09842 162.4
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.