CID 165942292

Tert-butyl n-[4-oxo-1-(trifluoromethyl)cyclohexyl]carbamate

Structural Information

Molecular Formula
C12H18F3NO3
SMILES
CC(C)(C)OC(=O)NC1(CCC(=O)CC1)C(F)(F)F
InChI
InChI=1S/C12H18F3NO3/c1-10(2,3)19-9(18)16-11(12(13,14)15)6-4-8(17)5-7-11/h4-7H2,1-3H3,(H,16,18)
InChIKey
VQXGCEOLDUEEMM-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-oxo-1-(trifluoromethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13115 160.0
[M+Na]+ 304.11309 165.6
[M-H]- 280.11659 159.1
[M+NH4]+ 299.15769 177.6
[M+K]+ 320.08703 164.5
[M+H-H2O]+ 264.12113 153.3
[M+HCOO]- 326.12207 174.0
[M+CH3COO]- 340.13772 198.6
[M+Na-2H]- 302.09854 163.8
[M]+ 281.12332 154.1
[M]- 281.12442 154.1
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.