CID 54039

C 5312

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)OC(=O)NCCN2CCCC2
InChI
InChI=1S/C14H19ClN2O2/c1-11-5-4-6-12(15)13(11)19-14(18)16-7-10-17-8-2-3-9-17/h4-6H,2-3,7-10H2,1H3,(H,16,18)
InChIKey
WVQDGCHMDBEYRY-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylphenyl) N-(2-pyrrolidin-1-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 164.7
[M+Na]+ 305.10272 175.5
[M+NH4]+ 300.14732 172.2
[M+K]+ 321.07666 170.4
[M-H]- 281.10622 167.4
[M+Na-2H]- 303.08817 170.1
[M]+ 282.11295 167.0
[M]- 282.11405 167.0
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.