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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.