CID 10176880

109887-53-8

Structural Information

Molecular Formula
C13H18FNO
SMILES
CN1CCC(C(C1)CO)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3
InChIKey
CXRHUYYZISIIMT-UHFFFAOYSA-N
Compound name
[4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

361
Patents

223.13724 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14452 150.9
[M+Na]+ 246.12646 157.3
[M-H]- 222.12996 153.1
[M+NH4]+ 241.17106 167.3
[M+K]+ 262.10040 153.3
[M+H-H2O]+ 206.13450 142.5
[M+HCOO]- 268.13544 167.6
[M+CH3COO]- 282.15109 188.2
[M+Na-2H]- 244.11191 153.2
[M]+ 223.13669 145.4
[M]- 223.13779 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe