CID 28801

(1-methyl-2-pyrrolidinyl)methyl 2,6-dimethylcarbanilate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OCC2CCCN2C
InChI
InChI=1S/C15H22N2O2/c1-11-6-4-7-12(2)14(11)16-15(18)19-10-13-8-5-9-17(13)3/h4,6-7,13H,5,8-10H2,1-3H3,(H,16,18)
InChIKey
JAHZHDCGNOYLAE-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.9
[M+Na]+ 285.15734 168.9
[M-H]- 261.16084 168.2
[M+NH4]+ 280.20194 180.1
[M+K]+ 301.13128 166.2
[M+H-H2O]+ 245.16538 155.1
[M+HCOO]- 307.16632 184.3
[M+CH3COO]- 321.18197 199.4
[M+Na-2H]- 283.14279 163.1
[M]+ 262.16757 162.6
[M]- 262.16867 162.6
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.