CID 58155414

2-oxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1CNCC2=C1NC(=O)C(=C2)C#N
InChI
InChI=1S/C9H9N3O/c10-4-6-3-7-5-11-2-1-8(7)12-9(6)13/h3,11H,1-2,5H2,(H,12,13)
InChIKey
GSVRQIWIPOMDRZ-UHFFFAOYSA-N
Compound name
2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 137.0
[M+Na]+ 198.06377 147.0
[M-H]- 174.06727 135.5
[M+NH4]+ 193.10837 152.3
[M+K]+ 214.03771 141.0
[M+H-H2O]+ 158.07181 123.8
[M+HCOO]- 220.07275 150.2
[M+CH3COO]- 234.08840 147.1
[M+Na-2H]- 196.04922 143.4
[M]+ 175.07400 126.9
[M]- 175.07510 126.9
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