CID 9209

1,7-naphthyridine

Structural Information

Molecular Formula
C8H6N2
SMILES
C1=CC2=C(C=NC=C2)N=C1
InChI
InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H
InChIKey
MXBVNILGVJVVMH-UHFFFAOYSA-N
Compound name
1,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9050
Patents

130.0531 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.060376 122.2
[M+Na]+ 153.042318 131.6
[M-H]- 129.045824 124.1
[M+NH4]+ 148.086923 142.5
[M+K]+ 169.016258 128.8
[M+H-H2O]+ 113.050360 114.9
[M+HCOO]- 175.051301 144.4
[M+CH3COO]- 189.066951 136.3
[M+Na-2H]- 151.027766 134.5
[M]+ 130.05255142 121.5
[M]- 130.05364858 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe