CID 4431607

6388-20-1

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1CCCCC1OC(=O)NC2=CC=CC(=C2)C
InChI
InChI=1S/C15H21NO2/c1-11-6-5-8-13(10-11)16-15(17)18-14-9-4-3-7-12(14)2/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKey
IRXGFSJOTYGZAS-UHFFFAOYSA-N
Compound name
(2-methylcyclohexyl) N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

247.15723 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 158.3
[M+Na]+ 270.146448 162.4
[M-H]- 246.149954 164.2
[M+NH4]+ 265.191053 175.1
[M+K]+ 286.120388 159.9
[M+H-H2O]+ 230.154490 150.8
[M+HCOO]- 292.155431 178.7
[M+CH3COO]- 306.171081 196.0
[M+Na-2H]- 268.131896 160.6
[M]+ 247.15668142 154.9
[M]- 247.15777858 154.9
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

patents stripe