CID 213584

(m-hydroxybenzyl)trimethylammonium iodide

Structural Information

Molecular Formula

C₁₀H₁₆NO

SMILES

C[N+](C)(C)CC1=CC(=CC=C1)O

InChI

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

InChIKey

CNKSWCLSTGWELB-UHFFFAOYSA-O

Compound name

(3-hydroxyphenyl)methyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.12318 Da
Monoisotopic Mass: 1.2
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]+	167.130456	133.4
[M+Na]+	189.112398	140.9
[M-H]-	165.115904	137.8
[M+NH4]+	184.157003	154.2
[M+K]+	205.086338	134.0
[M+H-H2O]+	149.120440	131.2
[M+HCOO]-	211.121381	157.0
[M+CH3COO]-	225.137031	175.9
[M+Na-2H]-	187.097846	143.9
[M]+	166.12263142	132.7
[M]-	166.12372858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe