CID 21788252

Thbetac

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1C2=C(CCN1)C3=C(N2)C=CC=C3O

InChI

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

InChIKey

CKAPKIRGAPRHBU-UHFFFAOYSA-N

Compound name

1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 211
References: 0
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	143.9
[M+Na]+	225.09983	156.9
[M+NH4]+	220.14443	152.7
[M+K]+	241.07377	152.1
[M-H]-	201.10333	144.9
[M+Na-2H]-	223.08528	148.1
[M]+	202.11006	145.9
[M]-	202.11116	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.