CID 28800

17829-06-0

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OCC2CCCN2C
InChI
InChI=1S/C14H19ClN2O2/c1-10-5-3-7-12(15)13(10)16-14(18)19-9-11-6-4-8-17(11)2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,16,18)
InChIKey
WDJNLCAIHUVNLX-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)methyl N-(2-chloro-6-methylphenyl)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]+ 283.120776 166.0
[M+Na]+ 305.102718 173.1
[M-H]- 281.106224 171.1
[M+NH4]+ 300.147323 183.1
[M+K]+ 321.076658 168.7
[M+H-H2O]+ 265.110760 158.8
[M+HCOO]- 327.111701 183.0
[M+CH3COO]- 341.127351 200.1
[M+Na-2H]- 303.088166 166.1
[M]+ 282.11295142 167.3
[M]- 282.11404858 167.3
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.