CID 130046674

1394003-89-4

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
COC(=O)C1=CN=C2C=NC(=CC2=C1)Cl
InChI
InChI=1S/C10H7ClN2O2/c1-15-10(14)7-2-6-3-9(11)13-5-8(6)12-4-7/h2-5H,1H3
InChIKey
HRQWKGJEBARRSV-UHFFFAOYSA-N
Compound name
methyl 6-chloro-1,7-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0196 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 142.3
[M+Na]+ 245.00882 153.3
[M-H]- 221.01232 144.5
[M+NH4]+ 240.05342 160.1
[M+K]+ 260.98276 149.3
[M+H-H2O]+ 205.01686 135.4
[M+HCOO]- 267.01780 158.8
[M+CH3COO]- 281.03345 186.6
[M+Na-2H]- 242.99427 150.3
[M]+ 222.01905 146.6
[M]- 222.02015 146.6
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

No patent data available for this compound.