CID 107838

16502-01-5

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CNCC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChIKey
CFTOTSJVQRFXOF-UHFFFAOYSA-N
Compound name
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

270
References

4189
Patents

172.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 134.8
[M+Na]+ 195.08927 143.4
[M-H]- 171.09277 134.8
[M+NH4]+ 190.13387 155.0
[M+K]+ 211.06321 137.6
[M+H-H2O]+ 155.09731 128.0
[M+HCOO]- 217.09825 152.2
[M+CH3COO]- 231.11390 147.0
[M+Na-2H]- 193.07472 142.8
[M]+ 172.09950 130.1
[M]- 172.10060 130.1
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