CID 12415324

14006-84-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=CN(C2=C1C(=O)CCC2)C

InChI

InChI=1S/C10H13NO/c1-7-6-11(2)8-4-3-5-9(12)10(7)8/h6H,3-5H2,1-2H3

InChIKey

JDGYEXNYVFNDIZ-UHFFFAOYSA-N

Compound name

1,3-dimethyl-6,7-dihydro-5H-indol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
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]+	164.106996	133.7
[M+Na]+	186.088938	143.2
[M-H]-	162.092444	137.3
[M+NH4]+	181.133543	156.7
[M+K]+	202.062878	140.6
[M+H-H2O]+	146.096980	128.2
[M+HCOO]-	208.097921	154.9
[M+CH3COO]-	222.113571	179.6
[M+Na-2H]-	184.074386	138.0
[M]+	163.09917142	133.1
[M]-	163.10026858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe