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]+ 256.190716 161.1
[M+Na]+ 278.172658 165.2
[M-H]- 254.176164 163.8
[M+NH4]+ 273.217263 180.0
[M+K]+ 294.146598 164.4
[M+H-H2O]+ 238.180700 156.2
[M+HCOO]- 300.181641 179.3
[M+CH3COO]- 314.197291 196.7
[M+Na-2H]- 276.158106 164.5
[M]+ 255.18289142 160.2
[M]- 255.18398858 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.