CID 55275307

Rac-[(3r,4s)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol hydrochloride

Structural Information

Molecular Formula
C11H14FNO
SMILES
C1[C@H]([C@@H](CN1)C2=CC(=CC=C2)F)CO
InChI
InChI=1S/C11H14FNO/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m0/s1
InChIKey
HOJIBLLFDVLDFW-ONGXEEELSA-N
Compound name
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 141.9
[M+Na]+ 218.095158 148.7
[M-H]- 194.098664 143.1
[M+NH4]+ 213.139763 160.4
[M+K]+ 234.069098 144.3
[M+H-H2O]+ 178.103200 134.5
[M+HCOO]- 240.104141 160.0
[M+CH3COO]- 254.119791 178.0
[M+Na-2H]- 216.080606 144.1
[M]+ 195.10539142 135.7
[M]- 195.10648858 135.7
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.