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

12
Patents

275.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.1
[M+Na]+ 298.17776 170.0
[M-H]- 274.18126 172.6
[M+NH4]+ 293.22236 182.7
[M+K]+ 314.15170 167.5
[M+H-H2O]+ 258.18580 159.7
[M+HCOO]- 320.18674 185.3
[M+CH3COO]- 334.20239 200.6
[M+Na-2H]- 296.16321 169.9
[M]+ 275.18799 163.5
[M]- 275.18909 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