CID 16244624

Tert-butyl n-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]carbamate

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1C(F)(F)F)N
InChI
InChI=1S/C14H19F3N2O2/c1-13(2,3)21-12(20)19-8-11(18)9-6-4-5-7-10(9)14(15,16)17/h4-7,11H,8,18H2,1-3H3,(H,19,20)
InChIKey
FDHWWVABOPXSGH-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

304.13986 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14714 168.5
[M+Na]+ 327.12908 174.0
[M-H]- 303.13258 167.5
[M+NH4]+ 322.17368 182.8
[M+K]+ 343.10302 171.7
[M+H-H2O]+ 287.13712 159.7
[M+HCOO]- 349.13806 185.2
[M+CH3COO]- 363.15371 208.1
[M+Na-2H]- 325.11453 170.4
[M]+ 304.13931 164.0
[M]- 304.14041 164.0
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

patents stripe