CID 71756765

1-(4-fluorophenyl)-2-(pyrrolidin-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1CC(NC1)CC(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C12H16FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8H2
InChIKey
UTJNCRYNTQHBFX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 147.0
[M+Na]+ 232.110818 152.1
[M-H]- 208.114324 147.7
[M+NH4]+ 227.155423 164.5
[M+K]+ 248.084758 148.0
[M+H-H2O]+ 192.118860 139.2
[M+HCOO]- 254.119801 163.8
[M+CH3COO]- 268.135451 180.7
[M+Na-2H]- 230.096266 148.1
[M]+ 209.12105142 140.1
[M]- 209.12214858 140.1
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.