CID 12357332

6,7,8,9-tetrahydro-1h-benzo[g]indole

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C1CCC2=C(C1)C=CC3=C2NC=C3

InChI

InChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h5-8,13H,1-4H2

InChIKey

VOGFQCWPTBIAFM-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-1H-benzo[g]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 171.1048 Da
Monoisotopic Mass: 3.4
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]+	172.11208	135.4
[M+Na]+	194.09402	149.5
[M+NH4]+	189.13862	146.3
[M+K]+	210.06796	142.8
[M-H]-	170.09752	138.7
[M+Na-2H]-	192.07947	142.3
[M]+	171.10425	138.4
[M]-	171.10535	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe