CID 363113

3-methoxy-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C12H10N2O
SMILES
COC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3
InChIKey
UFGGNIMGPVLCJZ-UHFFFAOYSA-N
Compound name
3-methoxy-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

198.07932 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 140.1
[M+Na]+ 221.06854 151.6
[M-H]- 197.07204 142.5
[M+NH4]+ 216.11314 160.4
[M+K]+ 237.04248 146.6
[M+H-H2O]+ 181.07658 133.1
[M+HCOO]- 243.07752 161.8
[M+CH3COO]- 257.09317 153.8
[M+Na-2H]- 219.05399 149.3
[M]+ 198.07877 142.3
[M]- 198.07987 142.3
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