CID 58082

100836-82-6

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
C1CCN(C1)CCOC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)15-13(17)18-10-9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)
InChIKey
CQJWVRCOGQBWPL-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.105146 161.4
[M+Na]+ 291.087088 167.1
[M-H]- 267.090594 165.9
[M+NH4]+ 286.131693 178.5
[M+K]+ 307.061028 162.9
[M+H-H2O]+ 251.095130 153.8
[M+HCOO]- 313.096071 178.7
[M+CH3COO]- 327.111721 194.7
[M+Na-2H]- 289.072536 163.4
[M]+ 268.09732142 161.6
[M]- 268.09841858 161.6
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.