CID 11804912

3,3-dimethylindoline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1(CNC2=CC=CC=C21)C

InChI

InChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3

InChIKey

SRCCLYMWDRNUAF-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1,2-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 721
Patents: 147.1048 Da
Monoisotopic Mass: 2.8
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]+	148.112076	131.1
[M+Na]+	170.094018	140.1
[M-H]-	146.097524	133.3
[M+NH4]+	165.138623	155.6
[M+K]+	186.067958	136.6
[M+H-H2O]+	130.102060	125.9
[M+HCOO]-	192.103001	151.9
[M+CH3COO]-	206.118651	144.9
[M+Na-2H]-	168.079466	138.3
[M]+	147.10425142	128.8
[M]-	147.10534858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe