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

7
Patents

256.13986 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14714 157.4
[M+Na]+ 279.12908 162.5
[M-H]- 255.13258 153.4
[M+NH4]+ 274.17368 174.0
[M+K]+ 295.10302 161.6
[M+H-H2O]+ 239.13712 149.5
[M+HCOO]- 301.13806 175.3
[M+CH3COO]- 315.15371 199.2
[M+Na-2H]- 277.11453 161.4
[M]+ 256.13931 154.9
[M]- 256.14041 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