CID 5280953

Harmine

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

1189
References

7219
Patents

212.09496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 145.3
[M+Na]+ 235.08418 157.2
[M-H]- 211.08768 147.9
[M+NH4]+ 230.12878 165.3
[M+K]+ 251.05812 152.0
[M+H-H2O]+ 195.09222 138.3
[M+HCOO]- 257.09316 166.5
[M+CH3COO]- 271.10881 158.9
[M+Na-2H]- 233.06963 153.1
[M]+ 212.09441 148.2
[M]- 212.09551 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.