CID 130752918

Rac-(3r,4r)-3-(azidomethyl)-4-(trifluoromethyl)pyrrolidine hydrochloride

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 133.7
[M+Na]+ 217.06715 139.9
[M-H]- 193.07065 133.2
[M+NH4]+ 212.11175 152.9
[M+K]+ 233.04109 133.6
[M+H-H2O]+ 177.07519 129.3
[M+HCOO]- 239.07613 156.5
[M+CH3COO]- 253.09178 181.9
[M+Na-2H]- 215.05260 141.6
[M]+ 194.07738 123.2
[M]- 194.07848 123.2
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.