CID 24844819

8-aminoharman

Structural Information

Molecular Formula
C12H11N3
SMILES
CC1=NC=CC2=C1NC3=C2C=CC=C3N
InChI
InChI=1S/C12H11N3/c1-7-11-9(5-6-14-7)8-3-2-4-10(13)12(8)15-11/h2-6,15H,13H2,1H3
InChIKey
FFGQUIBSEOHWDI-UHFFFAOYSA-N
Compound name
1-methyl-9H-pyrido[3,4-b]indol-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 141.0
[M+Na]+ 220.084508 152.7
[M-H]- 196.088014 143.3
[M+NH4]+ 215.129113 161.1
[M+K]+ 236.058448 146.7
[M+H-H2O]+ 180.092550 134.1
[M+HCOO]- 242.093491 162.9
[M+CH3COO]- 256.109141 154.4
[M+Na-2H]- 218.069956 149.1
[M]+ 197.09474142 140.6
[M]- 197.09583858 140.6
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.