CID 368982

Tetrahydroharmol

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)O

InChI

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

InChIKey

AZTMWIPCEFFOJD-UHFFFAOYSA-N

Compound name

1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	144.0
[M+Na]+	225.09983	153.5
[M-H]-	201.10333	143.3
[M+NH4]+	220.14443	162.9
[M+K]+	241.07377	147.1
[M+H-H2O]+	185.10787	137.8
[M+HCOO]-	247.10881	159.7
[M+CH3COO]-	261.12446	155.5
[M+Na-2H]-	223.08528	149.5
[M]+	202.11006	140.1
[M]-	202.11116	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe