CID 64868849

[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C12H16FNO
SMILES
CC1=C(C=CC(=C1)N2CCC(C2)CO)F
InChI
InChI=1S/C12H16FNO/c1-9-6-11(2-3-12(9)13)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKey
KGWPQLZZDAFDEM-UHFFFAOYSA-N
Compound name
[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]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]+ 210.12888 145.8
[M+Na]+ 232.11082 153.5
[M-H]- 208.11432 148.6
[M+NH4]+ 227.15542 164.7
[M+K]+ 248.08476 149.8
[M+H-H2O]+ 192.11886 138.2
[M+HCOO]- 254.11980 165.1
[M+CH3COO]- 268.13545 184.7
[M+Na-2H]- 230.09627 147.2
[M]+ 209.12105 142.2
[M]- 209.12215 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.