CID 131079394

Rac-(3r,4s)-4-(trifluoromethyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1[C@H]([C@@H](CN1)O)C(F)(F)F
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)3-1-9-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4-/m1/s1
InChIKey
NUESFQGOJDUJGG-QWWZWVQMSA-N
Compound name
(3S,4R)-4-(trifluoromethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.0558 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 127.8
[M+Na]+ 178.045018 135.4
[M-H]- 154.048524 123.4
[M+NH4]+ 173.089623 147.9
[M+K]+ 194.018958 132.9
[M+H-H2O]+ 138.053060 120.6
[M+HCOO]- 200.054001 142.6
[M+CH3COO]- 214.069651 168.5
[M+Na-2H]- 176.030466 131.1
[M]+ 155.05525142 118.4
[M]- 155.05634858 118.4
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