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]+ 210.12888 147.0
[M+Na]+ 232.11082 152.1
[M-H]- 208.11432 147.7
[M+NH4]+ 227.15542 164.5
[M+K]+ 248.08476 148.0
[M+H-H2O]+ 192.11886 139.2
[M+HCOO]- 254.11980 163.8
[M+CH3COO]- 268.13545 180.7
[M+Na-2H]- 230.09627 148.1
[M]+ 209.12105 140.1
[M]- 209.12215 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.