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]+ 196.11322 141.9
[M+Na]+ 218.09516 148.7
[M-H]- 194.09866 143.1
[M+NH4]+ 213.13976 160.4
[M+K]+ 234.06910 144.3
[M+H-H2O]+ 178.10320 134.5
[M+HCOO]- 240.10414 160.0
[M+CH3COO]- 254.11979 178.0
[M+Na-2H]- 216.08061 144.1
[M]+ 195.10539 135.7
[M]- 195.10649 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.