CID 46781

(3-hydroxyphenyl)benzyldimethylammonium bromide

Structural Information

Molecular Formula
C15H18NO
SMILES
C[N+](C)(CC1=CC=CC=C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H17NO/c1-16(2,12-13-7-4-3-5-8-13)14-9-6-10-15(17)11-14/h3-11H,12H2,1-2H3/p+1
InChIKey
HTWSUDLCHXLIQP-UHFFFAOYSA-O
Compound name
benzyl-(3-hydroxyphenyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.13884 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14612 150.8
[M+Na]+ 251.12806 167.2
[M+NH4]+ 246.17266 161.5
[M+K]+ 267.10200 159.8
[M-H]- 227.13156 158.1
[M+Na-2H]- 249.11351 162.5
[M]+ 228.13829 155.8
[M]- 228.13939 155.8
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.