CID 63587925

3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol

Structural Information

Molecular Formula
C11H14FNO
SMILES
C1CNCC1(CC2=CC(=CC=C2)F)O
InChI
InChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11/h1-3,6,13-14H,4-5,7-8H2
InChIKey
NYDFCAJRPUFZDC-UHFFFAOYSA-N
Compound name
3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 142.0
[M+Na]+ 218.095158 148.9
[M-H]- 194.098664 143.3
[M+NH4]+ 213.139763 162.2
[M+K]+ 234.069098 144.7
[M+H-H2O]+ 178.103200 135.0
[M+HCOO]- 240.104141 160.2
[M+CH3COO]- 254.119791 176.4
[M+Na-2H]- 216.080606 146.0
[M]+ 195.10539142 135.8
[M]- 195.10648858 135.8
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.