CID 1868

20315-68-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

COC1=CC2=C(C=C1)NC3=C2CCNC3

InChI

InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3

InChIKey

QYMDEOQLJUUNOF-UHFFFAOYSA-N

Compound name

6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 78
References: 584
Patents: 202.11061 Da
Monoisotopic Mass: 1.5
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]+	203.11789	143.1
[M+Na]+	225.09983	152.0
[M-H]-	201.10333	143.3
[M+NH4]+	220.14443	162.3
[M+K]+	241.07377	146.6
[M+H-H2O]+	185.10787	136.2
[M+HCOO]-	247.10881	160.3
[M+CH3COO]-	261.12446	155.0
[M+Na-2H]-	223.08528	149.8
[M]+	202.11006	140.6
[M]-	202.11116	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe