CID 46004

2-hydroxybenzyltrimethylammonium bromide

Structural Information

Molecular Formula

C₁₀H₁₆NO

SMILES

C[N+](C)(C)CC1=CC=CC=C1O

InChI

InChI=1S/C10H15NO/c1-11(2,3)8-9-6-4-5-7-10(9)12/h4-7H,8H2,1-3H3/p+1

InChIKey

DSSBXSXKPWVWNR-UHFFFAOYSA-O

Compound name

(2-hydroxyphenyl)methyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 166.12318 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.13046	133.4
[M+Na]+	189.11240	140.9
[M-H]-	165.11590	137.8
[M+NH4]+	184.15700	154.2
[M+K]+	205.08634	134.0
[M+H-H2O]+	149.12044	131.2
[M+HCOO]-	211.12138	157.0
[M+CH3COO]-	225.13703	175.9
[M+Na-2H]-	187.09785	143.9
[M]+	166.12263	132.7
[M]-	166.12373	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe