CID 817009

5h,6h,7h,8h,9h-pyrido[2,3-b]indole

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CCC2=C(C1)C3=C(N2)N=CC=C3
InChI
InChI=1S/C11H12N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKey
XHIYUWFLVSLVBJ-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

172.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 134.6
[M+Na]+ 195.08927 143.6
[M-H]- 171.09277 136.0
[M+NH4]+ 190.13387 155.5
[M+K]+ 211.06321 138.7
[M+H-H2O]+ 155.09731 127.5
[M+HCOO]- 217.09825 153.6
[M+CH3COO]- 231.11390 147.4
[M+Na-2H]- 193.07472 143.0
[M]+ 172.09950 131.7
[M]- 172.10060 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