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

6
Patents

175.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 137.0
[M+Na]+ 198.063768 147.0
[M-H]- 174.067274 135.5
[M+NH4]+ 193.108373 152.3
[M+K]+ 214.037708 141.0
[M+H-H2O]+ 158.071810 123.8
[M+HCOO]- 220.072751 150.2
[M+CH3COO]- 234.088401 147.1
[M+Na-2H]- 196.049216 143.4
[M]+ 175.07400142 126.9
[M]- 175.07509858 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