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

3
Patents

202.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.3
[M+Na]+ 225.09983 151.8
[M-H]- 201.10333 142.1
[M+NH4]+ 220.14443 161.8
[M+K]+ 241.07377 145.5
[M+H-H2O]+ 185.10787 136.7
[M+HCOO]- 247.10881 159.0
[M+CH3COO]- 261.12446 154.5
[M+Na-2H]- 223.08528 149.6
[M]+ 202.11006 139.0
[M]- 202.11116 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