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]+ 163.086596 130.0
[M+Na]+ 185.068538 136.3
[M-H]- 161.072044 131.5
[M+NH4]+ 180.113143 147.2
[M+K]+ 201.042478 137.0
[M+H-H2O]+ 145.076580 123.3
[M+HCOO]- 207.077521 147.5
[M+CH3COO]- 221.093171 141.8
[M+Na-2H]- 183.053986 138.0
[M]+ 162.07877142 123.3
[M]- 162.07986858 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