CID 29968

20131-75-3

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC1=CC=CC=C1NC(=O)OC2CCCCC2N3CCCC3
InChI
InChI=1S/C18H26N2O2/c1-14-8-2-3-9-15(14)19-18(21)22-17-11-5-4-10-16(17)20-12-6-7-13-20/h2-3,8-9,16-17H,4-7,10-13H2,1H3,(H,19,21)
InChIKey
VLHHXENKYLLTHN-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 173.7
[M+Na]+ 325.188648 175.5
[M-H]- 301.192154 180.5
[M+NH4]+ 320.233253 188.0
[M+K]+ 341.162588 172.0
[M+H-H2O]+ 285.196690 164.3
[M+HCOO]- 347.197631 191.0
[M+CH3COO]- 361.213281 204.2
[M+Na-2H]- 323.174096 172.3
[M]+ 302.19888142 167.1
[M]- 302.19997858 167.1
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.