CID 23078459

2-methyl-1,6-naphthyridin-3-ol

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=C(C=C2C=NC=CC2=N1)O
InChI
InChI=1S/C9H8N2O/c1-6-9(12)4-7-5-10-3-2-8(7)11-6/h2-5,12H,1H3
InChIKey
DLQVIMHRWJJKGU-UHFFFAOYSA-N
Compound name
2-methyl-1,6-naphthyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 131.1
[M+Na]+ 183.052878 141.5
[M-H]- 159.056384 132.3
[M+NH4]+ 178.097483 150.1
[M+K]+ 199.026818 138.1
[M+H-H2O]+ 143.060920 124.2
[M+HCOO]- 205.061861 151.7
[M+CH3COO]- 219.077511 144.7
[M+Na-2H]- 181.038326 140.8
[M]+ 160.06311142 131.2
[M]- 160.06420858 131.2
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