CID 130752918

2309431-50-1

Structural Information

Molecular Formula
C6H9F3N4
SMILES
C1[C@H]([C@@H](CN1)C(F)(F)F)CN=[N+]=[N-]
InChI
InChI=1S/C6H9F3N4/c7-6(8,9)5-3-11-1-4(5)2-12-13-10/h4-5,11H,1-3H2/t4-,5+/m0/s1
InChIKey
ZAWMSCZJZZHKIH-CRCLSJGQSA-N
Compound name
(3S,4S)-3-(azidomethyl)-4-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07793 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08521 131.3
[M+Na]+ 217.06715 137.7
[M+NH4]+ 212.11175 136.8
[M+K]+ 233.04109 137.0
[M-H]- 193.07065 129.6
[M+Na-2H]- 215.05260 134.5
[M]+ 194.07738 131.0
[M]- 194.07848 131.0
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

No patent data available for this compound.