CID 3034606

34773-01-8

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CN(C)/C=C\1/CC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H13NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h3-6,8H,7H2,1-2H3/b10-8-

InChIKey

PTVLHYNESKGNCV-NTMALXAHSA-N

Compound name

(2Z)-2-(dimethylaminomethylidene)-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 187.09972 Da
Monoisotopic Mass: 2.1
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]+	188.10700	140.0
[M+Na]+	210.08894	148.3
[M-H]-	186.09244	146.1
[M+NH4]+	205.13354	163.3
[M+K]+	226.06288	145.8
[M+H-H2O]+	170.09698	134.4
[M+HCOO]-	232.09792	165.0
[M+CH3COO]-	246.11357	188.3
[M+Na-2H]-	208.07439	144.6
[M]+	187.09917	140.3
[M]-	187.10027	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe