CID 70660193

1393563-39-7

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC2=C(C=N1)C(=O)NCC2
InChI
InChI=1S/C9H10N2O/c1-6-4-7-2-3-10-9(12)8(7)5-11-6/h4-5H,2-3H2,1H3,(H,10,12)
InChIKey
DLHWMTVPSMIBEJ-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-2H-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

162.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 133.2
[M+Na]+ 185.068538 141.9
[M-H]- 161.072044 133.6
[M+NH4]+ 180.113143 151.9
[M+K]+ 201.042478 138.2
[M+H-H2O]+ 145.076580 126.3
[M+HCOO]- 207.077521 151.1
[M+CH3COO]- 221.093171 145.7
[M+Na-2H]- 183.053986 140.8
[M]+ 162.07877142 129.7
[M]- 162.07986858 129.7
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