CID 136070

1,5-naphthyridine

Structural Information

Molecular Formula
C8H6N2
SMILES
C1=CC2=C(C=CC=N2)N=C1
InChI
InChI=1S/C8H6N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-6H
InChIKey
VMLKTERJLVWEJJ-UHFFFAOYSA-N
Compound name
1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

125
References

61824
Patents

130.0531 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06038 122.2
[M+Na]+ 153.04232 131.6
[M-H]- 129.04582 124.1
[M+NH4]+ 148.08692 142.5
[M+K]+ 169.01626 128.8
[M+H-H2O]+ 113.05036 114.9
[M+HCOO]- 175.05130 144.4
[M+CH3COO]- 189.06695 136.3
[M+Na-2H]- 151.02777 134.5
[M]+ 130.05255 121.5
[M]- 130.05365 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