CID 165440271

2137841-10-0

Structural Information

Molecular Formula
C15H27NO3
SMILES
CC1(CCC(CC1)(CC=O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H27NO3/c1-13(2,3)19-12(18)16-15(10-11-17)8-6-14(4,5)7-9-15/h11H,6-10H2,1-5H3,(H,16,18)
InChIKey
ALDPPIIYOVJGPY-UHFFFAOYSA-N
Compound name
tert-butyl N-[4,4-dimethyl-1-(2-oxoethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.20638 163.5
[M+Na]+ 292.18832 168.1
[M-H]- 268.19182 166.3
[M+NH4]+ 287.23292 183.8
[M+K]+ 308.16226 167.5
[M+H-H2O]+ 252.19636 159.6
[M+HCOO]- 314.19730 181.3
[M+CH3COO]- 328.21295 199.4
[M+Na-2H]- 290.17377 167.9
[M]+ 269.19855 163.4
[M]- 269.19965 163.4
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.