CID 54043

C 5318

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=C(C(=CC=C1)C)OC(=O)NCCN2CCCC2
InChI
InChI=1S/C15H22N2O2/c1-12-6-5-7-13(2)14(12)19-15(18)16-8-11-17-9-3-4-10-17/h5-7H,3-4,8-11H2,1-2H3,(H,16,18)
InChIKey
OPVXXLCGIJTIJG-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) N-(2-pyrrolidin-1-ylethyl)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 163.1
[M+Na]+ 285.15734 168.1
[M-H]- 261.16084 167.9
[M+NH4]+ 280.20194 179.9
[M+K]+ 301.13128 165.4
[M+H-H2O]+ 245.16538 155.0
[M+HCOO]- 307.16632 184.4
[M+CH3COO]- 321.18197 198.1
[M+Na-2H]- 283.14279 163.9
[M]+ 262.16757 162.4
[M]- 262.16867 162.4
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.