CID 67486

9h-pyrido[2,3-b]indole

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=CC=C3
InChI
InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)
InChIKey
BPMFPOGUJAAYHL-UHFFFAOYSA-N
Compound name
9H-pyrido[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

37788
Patents

168.06874 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.076016 131.7
[M+Na]+ 191.057958 142.8
[M-H]- 167.061464 133.9
[M+NH4]+ 186.102563 153.0
[M+K]+ 207.031898 137.5
[M+H-H2O]+ 151.066000 124.8
[M+HCOO]- 213.066941 153.6
[M+CH3COO]- 227.082591 145.7
[M+Na-2H]- 189.043406 142.2
[M]+ 168.06819142 131.7
[M]- 168.06928858 131.7
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