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 143.3
[M+Na]+ 215.12806 149.0
[M-H]- 191.13156 147.1
[M+NH4]+ 210.17266 162.5
[M+K]+ 231.10200 140.3
[M+H-H2O]+ 175.13610 139.2
[M+HCOO]- 237.13704 161.1
[M+CH3COO]- 251.15269 173.1
[M+Na-2H]- 213.11351 151.5
[M]+ 192.13829 136.6
[M]- 192.13939 136.6
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.