CID 34054

N-(alpha-methyl-3-trifluoromethylphenethyl)carbamic acid ethyl ester

Structural Information

Molecular Formula
C13H16F3NO2
SMILES
CCOC(=O)NC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C13H16F3NO2/c1-3-19-12(18)17-9(2)7-10-5-4-6-11(8-10)13(14,15)16/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)
InChIKey
BAXFKXBEBIPHLF-UHFFFAOYSA-N
Compound name
ethyl N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1133 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12058 164.3
[M+Na]+ 298.10252 171.3
[M+NH4]+ 293.14712 168.6
[M+K]+ 314.07646 166.8
[M-H]- 274.10602 160.7
[M+Na-2H]- 296.08797 166.8
[M]+ 275.11275 163.9
[M]- 275.11385 163.9
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.