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]+ 210.12888 146.5
[M+Na]+ 232.11082 153.0
[M-H]- 208.11432 147.5
[M+NH4]+ 227.15542 166.2
[M+K]+ 248.08476 148.5
[M+H-H2O]+ 192.11886 139.2
[M+HCOO]- 254.11980 164.4
[M+CH3COO]- 268.13545 179.4
[M+Na-2H]- 230.09627 149.9
[M]+ 209.12105 140.6
[M]- 209.12215 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.