CID 12283032

61479-36-5

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CC2=C(C=CC=N2)NC(=O)C1
InChI
InChI=1S/C9H10N2O/c12-9-5-1-3-7-8(11-9)4-2-6-10-7/h2,4,6H,1,3,5H2,(H,11,12)
InChIKey
FNDNCBMOHMAWRH-UHFFFAOYSA-N
Compound name
5,7,8,9-tetrahydropyrido[3,2-b]azepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

162.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 130.0
[M+Na]+ 185.06854 136.3
[M-H]- 161.07204 131.5
[M+NH4]+ 180.11314 147.2
[M+K]+ 201.04248 137.0
[M+H-H2O]+ 145.07658 123.3
[M+HCOO]- 207.07752 147.5
[M+CH3COO]- 221.09317 141.8
[M+Na-2H]- 183.05399 138.0
[M]+ 162.07877 123.3
[M]- 162.07987 123.3
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