CID 3017444

4-(phenoxymethyl) piperidinium chloride

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CNCCC1COC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h1-5,11,13H,6-10H2
InChIKey
BREBKAKBNYXIOP-UHFFFAOYSA-N
Compound name
4-(phenoxymethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

317
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.5
[M+Na]+ 214.120228 147.3
[M-H]- 190.123734 146.0
[M+NH4]+ 209.164833 160.2
[M+K]+ 230.094168 144.0
[M+H-H2O]+ 174.128270 135.6
[M+HCOO]- 236.129211 161.6
[M+CH3COO]- 250.144861 179.1
[M+Na-2H]- 212.105676 149.1
[M]+ 191.13046142 137.5
[M]- 191.13155858 137.5
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