CID 122163856

Tert-butyl n-(3,3-dimethyl-5-oxocyclohexyl)carbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CC(CC(=O)C1)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-9-6-10(15)8-13(4,5)7-9/h9H,6-8H2,1-5H3,(H,14,16)
InChIKey
UNBAMXRPPJFULU-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,3-dimethyl-5-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 156.8
[M+Na]+ 264.15702 164.9
[M+NH4]+ 259.20162 164.6
[M+K]+ 280.13096 159.1
[M-H]- 240.16052 156.9
[M+Na-2H]- 262.14247 160.8
[M]+ 241.16725 157.8
[M]- 241.16835 157.8
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.