CID 51299

71323-94-9

Structural Information

Molecular Formula

C₁₁H₁₈NO

SMILES

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

InChI

InChI=1S/C11H18NO/c1-12(2,3)9-10-6-5-7-11(8-10)13-4/h5-8H,9H2,1-4H3/q+1

InChIKey

VFHNTJUHDNGDMG-UHFFFAOYSA-N

Compound name

(3-methoxyphenyl)methyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 180.13884 Da
Monoisotopic Mass: 1.9
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]+	181.146116	137.9
[M+Na]+	203.128058	145.3
[M-H]-	179.131564	143.4
[M+NH4]+	198.172663	158.8
[M+K]+	219.101998	139.1
[M+H-H2O]+	163.136100	135.1
[M+HCOO]-	225.137041	162.6
[M+CH3COO]-	239.152691	181.8
[M+Na-2H]-	201.113506	148.2
[M]+	180.13829142	139.4
[M]-	180.13938858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe