CID 117693

2,3,3,5-tetramethyl-3h-indole

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CC1=CC2=C(C=C1)N=C(C2(C)C)C

InChI

InChI=1S/C12H15N/c1-8-5-6-11-10(7-8)12(3,4)9(2)13-11/h5-7H,1-4H3

InChIKey

RQVAPBRSUHSDGP-UHFFFAOYSA-N

Compound name

2,3,3,5-tetramethylindole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 153
Patents: 173.12045 Da
Monoisotopic Mass: 2.6
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]+	174.12773	137.2
[M+Na]+	196.10967	151.7
[M+NH4]+	191.15427	148.8
[M+K]+	212.08361	143.9
[M-H]-	172.11317	140.2
[M+Na-2H]-	194.09512	145.4
[M]+	173.11990	140.5
[M]-	173.12100	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe