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: 4
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]+	228.10192	146.9
[M+Na]+	250.08386	157.8
[M-H]-	226.08736	155.8
[M+NH4]+	245.12846	163.1
[M+K]+	266.05780	152.5
[M+H-H2O]+	210.09190	140.9
[M+HCOO]-	272.09284	172.3
[M+CH3COO]-	286.10849	195.1
[M+Na-2H]-	248.06931	152.1
[M]+	227.09409	151.0
[M]-	227.09519	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe