CID 35929

31772-85-7

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CCCN1CCC(C1)OC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C15H21ClN2O2/c1-3-8-18-9-7-12(10-18)20-15(19)17-14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19)
InChIKey
XZNWXEXXXURADS-UHFFFAOYSA-N
Compound name
(1-propylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.136426 170.6
[M+Na]+ 319.118368 177.2
[M-H]- 295.121874 175.5
[M+NH4]+ 314.162973 187.1
[M+K]+ 335.092308 172.6
[M+H-H2O]+ 279.126410 163.2
[M+HCOO]- 341.127351 187.2
[M+CH3COO]- 355.143001 203.0
[M+Na-2H]- 317.103816 170.1
[M]+ 296.12860142 172.3
[M]- 296.12969858 172.3
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.