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]+ 248.16451 158.3
[M+Na]+ 270.14645 162.4
[M-H]- 246.14995 164.2
[M+NH4]+ 265.19105 175.1
[M+K]+ 286.12039 159.9
[M+H-H2O]+ 230.15449 150.8
[M+HCOO]- 292.15543 178.7
[M+CH3COO]- 306.17108 196.0
[M+Na-2H]- 268.13190 160.6
[M]+ 247.15668 154.9
[M]- 247.15778 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