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
1
Annotation Hits

0
References

231
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 147.3
[M-H]- 190.12373 146.0
[M+NH4]+ 209.16483 160.2
[M+K]+ 230.09417 144.0
[M+H-H2O]+ 174.12827 135.6
[M+HCOO]- 236.12921 161.6
[M+CH3COO]- 250.14486 179.1
[M+Na-2H]- 212.10568 149.1
[M]+ 191.13046 137.5
[M]- 191.13156 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