CID 108319887

[3-fluoro-2-(2-methylpyrrolidin-1-yl)phenyl]methanol

Structural Information

Molecular Formula
C12H16FNO
SMILES
CC1CCCN1C2=C(C=CC=C2F)CO
InChI
InChI=1S/C12H16FNO/c1-9-4-3-7-14(9)12-10(8-15)5-2-6-11(12)13/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKey
IVGCLKVCMHAJAB-UHFFFAOYSA-N
Compound name
[3-fluoro-2-(2-methylpyrrolidin-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 145.8
[M+Na]+ 232.110818 153.5
[M-H]- 208.114324 148.6
[M+NH4]+ 227.155423 164.7
[M+K]+ 248.084758 149.8
[M+H-H2O]+ 192.118860 138.2
[M+HCOO]- 254.119801 165.1
[M+CH3COO]- 268.135451 184.7
[M+Na-2H]- 230.096266 147.2
[M]+ 209.12105142 142.2
[M]- 209.12214858 142.2
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.