CID 31970

N-methyl-octahydrocarbazole

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CN1C2=C(CCCC2)C3=C1CCCC3

InChI

InChI=1S/C13H19N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H2,1H3

InChIKey

HKJGFGUEJZPZOO-UHFFFAOYSA-N

Compound name

9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 189.15175 Da
Monoisotopic Mass: 3.1
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]+	190.15903	143.8
[M+Na]+	212.14097	150.0
[M-H]-	188.14447	146.8
[M+NH4]+	207.18557	166.0
[M+K]+	228.11491	146.2
[M+H-H2O]+	172.14901	137.1
[M+HCOO]-	234.14995	160.4
[M+CH3COO]-	248.16560	155.7
[M+Na-2H]-	210.12642	147.6
[M]+	189.15120	138.7
[M]-	189.15230	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe