CID 3157459

57933-28-5

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CC1=CC2=C(C=C1)NC3=C2CNCC3

InChI

InChI=1S/C12H14N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,13-14H,4-5,7H2,1H3

InChIKey

ZZNXMXVBVZSXEL-UHFFFAOYSA-N

Compound name

8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 69
Patents: 186.11569 Da
Monoisotopic Mass: 1.9
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]+	187.12297	140.0
[M+Na]+	209.10491	149.1
[M-H]-	185.10841	140.3
[M+NH4]+	204.14951	160.0
[M+K]+	225.07885	143.1
[M+H-H2O]+	169.11295	133.3
[M+HCOO]-	231.11389	157.1
[M+CH3COO]-	245.12954	152.1
[M+Na-2H]-	207.09036	146.7
[M]+	186.11514	136.1
[M]-	186.11624	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe