CID 81740155

Tert-butyl n-{3-[(2,2,2-trifluoroethyl)amino]propyl}carbamate

Structural Information

Molecular Formula
C10H19F3N2O2
SMILES
CC(C)(C)OC(=O)NCCCNCC(F)(F)F
InChI
InChI=1S/C10H19F3N2O2/c1-9(2,3)17-8(16)15-6-4-5-14-7-10(11,12)13/h14H,4-7H2,1-3H3,(H,15,16)
InChIKey
NMIIAKUJJLLUNB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2,2,2-trifluoroethylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.13986 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.147136 157.4
[M+Na]+ 279.129078 162.5
[M-H]- 255.132584 153.4
[M+NH4]+ 274.173683 174.0
[M+K]+ 295.103018 161.6
[M+H-H2O]+ 239.137120 149.5
[M+HCOO]- 301.138061 175.3
[M+CH3COO]- 315.153711 199.2
[M+Na-2H]- 277.114526 161.4
[M]+ 256.13931142 154.9
[M]- 256.14040858 154.9
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