CID 12413175

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

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CCNC2=C(C1)C=CC=N2
InChI
InChI=1S/C9H12N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h3,5,7H,1-2,4,6H2,(H,10,11)
InChIKey
TYUNYXYPNUPGGI-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

148.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 128.8
[M+Na]+ 171.08927 139.7
[M+NH4]+ 166.13387 137.3
[M+K]+ 187.06321 134.5
[M-H]- 147.09277 130.4
[M+Na-2H]- 169.07472 135.7
[M]+ 148.09950 130.8
[M]- 148.10060 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe