CID 10942760

18781-58-3

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1C(C2=CC=CC=C2N1)(C)C

InChI

InChI=1S/C11H15N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-8,12H,1-3H3

InChIKey

IVWSGOOPQGMALJ-UHFFFAOYSA-N

Compound name

2,3,3-trimethyl-1,2-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 349
Patents: 161.12045 Da
Monoisotopic Mass: 3.2
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]+	162.12773	135.3
[M+Na]+	184.10967	148.1
[M+NH4]+	179.15427	146.6
[M+K]+	200.08361	140.8
[M-H]-	160.11317	137.5
[M+Na-2H]-	182.09512	142.4
[M]+	161.11990	138.0
[M]-	161.12100	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe