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 151.2
[M+Na]+ 251.12806 157.7
[M-H]- 227.13156 158.2
[M+NH4]+ 246.17266 168.9
[M+K]+ 267.10200 148.7
[M+H-H2O]+ 211.13610 147.0
[M+HCOO]- 273.13704 174.4
[M+CH3COO]- 287.15269 186.8
[M+Na-2H]- 249.11351 161.4
[M]+ 228.13829 149.7
[M]- 228.13939 149.7
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.