CID 165440267

2137637-27-3

Structural Information

Molecular Formula
C17H31NO3
SMILES
CC(C)(C)C1CCC(CC1)(CC=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H31NO3/c1-15(2,3)13-7-9-17(10-8-13,11-12-19)18-14(20)21-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,20)
InChIKey
NMXQODNWVRVVOW-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-tert-butyl-1-(2-oxoethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.2304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.23768 173.0
[M+Na]+ 320.21962 176.3
[M-H]- 296.22312 175.4
[M+NH4]+ 315.26422 190.3
[M+K]+ 336.19356 175.5
[M+H-H2O]+ 280.22766 168.5
[M+HCOO]- 342.22860 188.6
[M+CH3COO]- 356.24425 205.5
[M+Na-2H]- 318.20507 176.1
[M]+ 297.22985 172.7
[M]- 297.23095 172.7
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.