CID 12413175

41038-70-4

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

322
Patents

148.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 127.6
[M+Na]+ 171.089268 132.9
[M-H]- 147.092774 128.7
[M+NH4]+ 166.133873 145.2
[M+K]+ 187.063208 133.4
[M+H-H2O]+ 131.097310 120.8
[M+HCOO]- 193.098251 144.7
[M+CH3COO]- 207.113901 139.2
[M+Na-2H]- 169.074716 136.4
[M]+ 148.09950142 119.9
[M]- 148.10059858 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