CID 208739

32920-59-5

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

CN1CCC2C1CCC3=CC=CC=C23

InChI

InChI=1S/C13H17N/c1-14-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14/h2-5,12-13H,6-9H2,1H3

InChIKey

JBZOKFFNOZHOON-UHFFFAOYSA-N

Compound name

3-methyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 187.1361 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]+	188.14338	142.0
[M+Na]+	210.12532	149.3
[M-H]-	186.12882	145.5
[M+NH4]+	205.16992	164.5
[M+K]+	226.09926	145.3
[M+H-H2O]+	170.13336	135.4
[M+HCOO]-	232.13430	160.1
[M+CH3COO]-	246.14995	154.6
[M+Na-2H]-	208.11077	146.9
[M]+	187.13555	138.4
[M]-	187.13665	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe