CID 3292772

18781-72-1

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CC12CCCCC1=NC3=CC=CC=C23

InChI

InChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7H,4-5,8-9H2,1H3

InChIKey

QUAWBDFZLBLKCC-UHFFFAOYSA-N

Compound name

4a-methyl-1,2,3,4-tetrahydrocarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 185.12045 Da
Monoisotopic Mass: 2.7
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]+	186.12773	141.8
[M+Na]+	208.10967	155.4
[M+NH4]+	203.15427	154.3
[M+K]+	224.08361	146.7
[M-H]-	184.11317	145.4
[M+Na-2H]-	206.09512	149.5
[M]+	185.11990	145.0
[M]-	185.12100	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe