CID 135442004

1h-indene-1,3(2h)-dione, 2-(((2-methylpropyl)amino)methylene)-

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

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

InChI

InChI=1S/C14H15NO2/c1-9(2)7-15-8-12-13(16)10-5-3-4-6-11(10)14(12)17/h3-6,8-9,16H,7H2,1-2H3

InChIKey

BYUNFCURENSSJR-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(2-methylpropyliminomethyl)inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 4
Patents: 229.11028 Da
Monoisotopic Mass: 2.4
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]+	230.11756	152.0
[M+Na]+	252.09950	163.5
[M+NH4]+	247.14410	160.1
[M+K]+	268.07344	158.7
[M-H]-	228.10300	154.1
[M+Na-2H]-	250.08495	156.5
[M]+	229.10973	154.0
[M]-	229.11083	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe