CID 165982803

2763759-14-2

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC1CCC(CC1)(CC=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO3/c1-11-5-7-14(8-6-11,9-10-16)15-12(17)18-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKey
APZJQXGFYUWLRR-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-methyl-1-(2-oxoethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 161.1
[M+Na]+ 278.17266 165.2
[M-H]- 254.17616 163.8
[M+NH4]+ 273.21726 180.0
[M+K]+ 294.14660 164.4
[M+H-H2O]+ 238.18070 156.2
[M+HCOO]- 300.18164 179.3
[M+CH3COO]- 314.19729 196.7
[M+Na-2H]- 276.15811 164.5
[M]+ 255.18289 160.2
[M]- 255.18399 160.2
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.