CID 5376026

6-methoxyharman

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC
InChI
InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
InChIKey
XYYVPBBISSKKQB-UHFFFAOYSA-N
Compound name
6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

33
Patents

212.09496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 145.3
[M+Na]+ 235.084178 157.2
[M-H]- 211.087684 147.9
[M+NH4]+ 230.128783 165.3
[M+K]+ 251.058118 152.0
[M+H-H2O]+ 195.092220 138.3
[M+HCOO]- 257.093161 166.5
[M+CH3COO]- 271.108811 158.9
[M+Na-2H]- 233.069626 153.1
[M]+ 212.09441142 148.2
[M]- 212.09550858 148.2
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