CID 66057548

{3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl}methanol

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1CNCC1(CC2=CC=C(C=C2)F)CO
InChI
InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)7-12(9-15)5-6-14-8-12/h1-4,14-15H,5-9H2
InChIKey
RBMGBWISOFISNU-UHFFFAOYSA-N
Compound name
[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 146.5
[M+Na]+ 232.110818 153.0
[M-H]- 208.114324 147.5
[M+NH4]+ 227.155423 166.2
[M+K]+ 248.084758 148.5
[M+H-H2O]+ 192.118860 139.2
[M+HCOO]- 254.119801 164.4
[M+CH3COO]- 268.135451 179.4
[M+Na-2H]- 230.096266 149.9
[M]+ 209.12105142 140.6
[M]- 209.12214858 140.6
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.