CID 119031878

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

Structural Information

Molecular Formula
C6H9F3N2O
SMILES
C1[C@H]([C@@H](CN1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C6H9F3N2O/c7-6(8,9)4-2-11-1-3(4)5(10)12/h3-4,11H,1-2H2,(H2,10,12)/t3-,4-/m1/s1
InChIKey
NMZWAHNQJOBUEX-QWWZWVQMSA-N
Compound name
(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0667 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07398 134.6
[M+Na]+ 205.05592 141.2
[M-H]- 181.05942 130.9
[M+NH4]+ 200.10052 153.5
[M+K]+ 221.02986 138.9
[M+H-H2O]+ 165.06396 126.6
[M+HCOO]- 227.06490 150.1
[M+CH3COO]- 241.08055 178.3
[M+Na-2H]- 203.04137 136.0
[M]+ 182.06615 124.3
[M]- 182.06725 124.3
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.