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

316
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 127.6
[M+Na]+ 171.08927 132.9
[M-H]- 147.09277 128.7
[M+NH4]+ 166.13387 145.2
[M+K]+ 187.06321 133.4
[M+H-H2O]+ 131.09731 120.8
[M+HCOO]- 193.09825 144.7
[M+CH3COO]- 207.11390 139.2
[M+Na-2H]- 169.07472 136.4
[M]+ 148.09950 119.9
[M]- 148.10060 119.9
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