CID 48497

66941-35-3

Structural Information

Molecular Formula

C₉H₁₄NO₂

SMILES

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

InChI

InChI=1S/C9H13NO2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,1-3H3,(H-,11,12)/p+1

InChIKey

FRXGPNFUFZWJET-UHFFFAOYSA-O

Compound name

(3,4-dihydroxyphenyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.10245 Da
Monoisotopic Mass: 1.7
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]+	169.10973	131.9
[M+Na]+	191.09167	140.2
[M-H]-	167.09517	135.4
[M+NH4]+	186.13627	152.1
[M+K]+	207.06561	133.1
[M+H-H2O]+	151.09971	130.1
[M+HCOO]-	213.10065	154.5
[M+CH3COO]-	227.11630	173.3
[M+Na-2H]-	189.07712	141.8
[M]+	168.10190	130.7
[M]-	168.10300	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.