CID 135416861

38301-05-2

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CCN=CC1=C(C2=CC=CC=C2C1=O)O

InChI

InChI=1S/C12H11NO2/c1-2-13-7-10-11(14)8-5-3-4-6-9(8)12(10)15/h3-7,14H,2H2,1H3

InChIKey

OHVOQNZDVKUVGC-UHFFFAOYSA-N

Compound name

2-(ethyliminomethyl)-3-hydroxyinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 201.07898 Da
Monoisotopic Mass: 1.4
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]+	202.086256	141.1
[M+Na]+	224.068198	151.1
[M-H]-	200.071704	146.5
[M+NH4]+	219.112803	163.5
[M+K]+	240.042138	147.6
[M+H-H2O]+	184.076240	135.7
[M+HCOO]-	246.077181	167.2
[M+CH3COO]-	260.092831	187.7
[M+Na-2H]-	222.053646	146.9
[M]+	201.07843142	143.5
[M]-	201.07952858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe