CID 44154085

85153-58-8

Structural Information

Molecular Formula

C₁₀H₁₄NO₂

SMILES

CO[N+](=CCC1=CC=CC=C1)OC

InChI

InChI=1S/C10H14NO2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1

InChIKey

BTJYNQRVGCSDAU-UHFFFAOYSA-N

Compound name

dimethoxy(2-phenylethylidene)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.10245 Da
Monoisotopic Mass: 2.2
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]+	181.109726	139.4
[M+Na]+	203.091668	145.9
[M-H]-	179.095174	144.6
[M+NH4]+	198.136273	159.5
[M+K]+	219.065608	140.1
[M+H-H2O]+	163.099710	135.7
[M+HCOO]-	225.100651	165.6
[M+CH3COO]-	239.116301	178.4
[M+Na-2H]-	201.077116	148.7
[M]+	180.10190142	141.0
[M]-	180.10299858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.