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]+ 156.06308 127.8
[M+Na]+ 178.04502 135.4
[M-H]- 154.04852 123.4
[M+NH4]+ 173.08962 147.9
[M+K]+ 194.01896 132.9
[M+H-H2O]+ 138.05306 120.6
[M+HCOO]- 200.05400 142.6
[M+CH3COO]- 214.06965 168.5
[M+Na-2H]- 176.03047 131.1
[M]+ 155.05525 118.4
[M]- 155.05635 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