CID 3051252

N-(4-hydroxyphenyl)-n-methylpiperidinium bromide

Structural Information

Molecular Formula
C12H18NO
SMILES
C[N+]1(CCCCC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H17NO/c1-13(9-3-2-4-10-13)11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3/p+1
InChIKey
CDLHVDKBJIMUEX-UHFFFAOYSA-O
Compound name
4-(1-methylpiperidin-1-ium-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.13884 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14612 142.4
[M+Na]+ 215.12806 157.6
[M+NH4]+ 210.17266 154.4
[M+K]+ 231.10200 148.7
[M-H]- 191.13156 148.2
[M+Na-2H]- 213.11351 153.0
[M]+ 192.13829 146.8
[M]- 192.13939 146.8
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.