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]+ 269.10515 161.4
[M+Na]+ 291.08709 167.1
[M-H]- 267.09059 165.9
[M+NH4]+ 286.13169 178.5
[M+K]+ 307.06103 162.9
[M+H-H2O]+ 251.09513 153.8
[M+HCOO]- 313.09607 178.7
[M+CH3COO]- 327.11172 194.7
[M+Na-2H]- 289.07254 163.4
[M]+ 268.09732 161.6
[M]- 268.09842 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.