CID 86650773

Tert-butyl n-(2-[(2,2,2-trifluoroethyl)amino]ethyl)carbamate

Structural Information

Molecular Formula
C9H17F3N2O2
SMILES
CC(C)(C)OC(=O)NCCNCC(F)(F)F
InChI
InChI=1S/C9H17F3N2O2/c1-8(2,3)16-7(15)14-5-4-13-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKey
DKQRGTCZJUFLDF-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2,2,2-trifluoroethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

242.1242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13148 152.8
[M+Na]+ 265.11342 158.3
[M-H]- 241.11692 148.9
[M+NH4]+ 260.15802 169.9
[M+K]+ 281.08736 157.6
[M+H-H2O]+ 225.12146 145.1
[M+HCOO]- 287.12240 171.0
[M+CH3COO]- 301.13805 196.2
[M+Na-2H]- 263.09887 157.3
[M]+ 242.12365 149.9
[M]- 242.12475 149.9
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

patents stripe