CID 2734218

(3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

Structural Information

Molecular Formula
C13H18FNO
SMILES
CN1CC[C@H]([C@@H](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/t11-,13-/m0/s1
InChIKey
CXRHUYYZISIIMT-AAEUAGOBSA-N
Compound name
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

397
Patents

223.13724 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 150.9
[M+Na]+ 246.126458 157.3
[M-H]- 222.129964 153.1
[M+NH4]+ 241.171063 167.3
[M+K]+ 262.100398 153.3
[M+H-H2O]+ 206.134500 142.5
[M+HCOO]- 268.135441 167.6
[M+CH3COO]- 282.151091 188.2
[M+Na-2H]- 244.111906 153.2
[M]+ 223.13669142 145.4
[M]- 223.13778858 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