CID 13900785

1-hydroxymethyl-1,2,3,4-tetrahydronorharmane hydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)CO
InChI
InChI=1S/C12H14N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-4,11,13-15H,5-7H2
InChIKey
NEPUCDWQTZIZIQ-UHFFFAOYSA-N
Compound name
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 143.3
[M+Na]+ 225.099828 151.8
[M-H]- 201.103334 142.1
[M+NH4]+ 220.144433 161.8
[M+K]+ 241.073768 145.5
[M+H-H2O]+ 185.107870 136.7
[M+HCOO]- 247.108811 159.0
[M+CH3COO]- 261.124461 154.5
[M+Na-2H]- 223.085276 149.6
[M]+ 202.11006142 139.0
[M]- 202.11115858 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe