CID 165940907

Tert-butyl n-(2,2-dimethyl-4-oxocyclohexyl)carbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CC(=O)CCC1NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-10-7-6-9(15)8-13(10,4)5/h10H,6-8H2,1-5H3,(H,14,16)
InChIKey
LAUDZGRQRZOSJN-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-dimethyl-4-oxocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 155.4
[M+Na]+ 264.15702 160.9
[M-H]- 240.16052 158.6
[M+NH4]+ 259.20162 175.2
[M+K]+ 280.13096 160.4
[M+H-H2O]+ 224.16506 151.1
[M+HCOO]- 286.16600 173.9
[M+CH3COO]- 300.18165 194.9
[M+Na-2H]- 262.14247 158.8
[M]+ 241.16725 154.5
[M]- 241.16835 154.5
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

No patent data available for this compound.