CID 54670072

Schembl2580690

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)(C)C1CCCCC1OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,18,19)
InChIKey
IQFJKVNORUXJJY-UHFFFAOYSA-N
Compound name
(2-tert-butylcyclohexyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

275.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.1
[M+Na]+ 298.177758 170.0
[M-H]- 274.181264 172.6
[M+NH4]+ 293.222363 182.7
[M+K]+ 314.151698 167.5
[M+H-H2O]+ 258.185800 159.7
[M+HCOO]- 320.186741 185.3
[M+CH3COO]- 334.202391 200.6
[M+Na-2H]- 296.163206 169.9
[M]+ 275.18799142 163.5
[M]- 275.18908858 163.5
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