CID 5745846

(1-methyl-9h-pyrido[3,4-b]indol-3-yl)methanamine

Structural Information

Molecular Formula
C13H13N3
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CN
InChI
InChI=1S/C13H13N3/c1-8-13-11(6-9(7-14)15-8)10-4-2-3-5-12(10)16-13/h2-6,16H,7,14H2,1H3
InChIKey
HEFWTWTYTSSMBE-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.11095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 145.6
[M+Na]+ 234.100168 156.8
[M-H]- 210.103674 147.7
[M+NH4]+ 229.144773 165.2
[M+K]+ 250.074108 150.6
[M+H-H2O]+ 194.108210 138.5
[M+HCOO]- 256.109151 167.2
[M+CH3COO]- 270.124801 158.6
[M+Na-2H]- 232.085616 153.1
[M]+ 211.11040142 145.6
[M]- 211.11149858 145.6
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

patents stripe