CID 135489575

104582-17-4

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

C1CC1CN=CC2=C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C14H13NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)8-15-7-9-5-6-9/h1-4,8-9,16H,5-7H2

InChIKey

WICWVZXVQOYRRN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 227.09464 Da
Monoisotopic Mass: 1.8
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]+	228.101916	146.9
[M+Na]+	250.083858	157.8
[M-H]-	226.087364	155.8
[M+NH4]+	245.128463	163.1
[M+K]+	266.057798	152.5
[M+H-H2O]+	210.091900	140.9
[M+HCOO]-	272.092841	172.3
[M+CH3COO]-	286.108491	195.1
[M+Na-2H]-	248.069306	152.1
[M]+	227.09409142	151.0
[M]-	227.09518858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe