CID 211174

9h-pyrido(3,4-b)indole, 1,9-dimethyl-6-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=NC=CC2=C1N(C3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C14H14N2O/c1-9-14-11(6-7-15-9)12-8-10(17-3)4-5-13(12)16(14)2/h4-8H,1-3H3
InChIKey
AJSYZGYPCGTQSU-UHFFFAOYSA-N
Compound name
6-methoxy-1,9-dimethylpyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

226.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.0
[M+Na]+ 249.09983 162.7
[M-H]- 225.10333 154.1
[M+NH4]+ 244.14443 170.4
[M+K]+ 265.07377 158.2
[M+H-H2O]+ 209.10787 142.7
[M+HCOO]- 271.10881 172.3
[M+CH3COO]- 285.12446 164.1
[M+Na-2H]- 247.08528 156.9
[M]+ 226.11006 155.4
[M]- 226.11116 155.4
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

patents stripe