CID 112757241

2664078-95-7

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CNCC2=C1C(=CC(=O)N2)O
InChI
InChI=1S/C8H10N2O2/c11-7-3-8(12)10-6-4-9-2-1-5(6)7/h3,9H,1-2,4H2,(H2,10,11,12)
InChIKey
GMAIDQQVCWZJFM-UHFFFAOYSA-N
Compound name
4-hydroxy-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

166.07423 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.4
[M+Na]+ 189.063448 141.6
[M-H]- 165.066954 131.2
[M+NH4]+ 184.108053 150.5
[M+K]+ 205.037388 136.9
[M+H-H2O]+ 149.071490 127.1
[M+HCOO]- 211.072431 148.8
[M+CH3COO]- 225.088081 144.8
[M+Na-2H]- 187.048896 140.6
[M]+ 166.07368142 127.4
[M]- 166.07477858 127.4
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