CID 170530

41532-84-7

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2

InChI

InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3

InChIKey

WJZSZXCWMATYFX-UHFFFAOYSA-N

Compound name

1,1,2-trimethylbenzo[e]indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 856
Patents: 209.12045 Da
Monoisotopic Mass: 3.5
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]+	210.12773	146.8
[M+Na]+	232.10967	158.4
[M-H]-	208.11317	151.9
[M+NH4]+	227.15427	171.0
[M+K]+	248.08361	153.4
[M+H-H2O]+	192.11771	140.4
[M+HCOO]-	254.11865	168.6
[M+CH3COO]-	268.13430	161.0
[M+Na-2H]-	230.09512	154.0
[M]+	209.11990	149.0
[M]-	209.12100	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe