CID 12243913

1189570-18-0

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
COC(=O)C1=CC(=NC=C1C(=O)OC)Cl
InChI
InChI=1S/C9H8ClNO4/c1-14-8(12)5-3-7(10)11-4-6(5)9(13)15-2/h3-4H,1-2H3
InChIKey
NSWPCJMUZAKVFD-UHFFFAOYSA-N
Compound name
dimethyl 6-chloropyridine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

229.01419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02147 141.5
[M+Na]+ 252.00341 151.6
[M-H]- 228.00691 144.6
[M+NH4]+ 247.04801 159.5
[M+K]+ 267.97735 149.6
[M+H-H2O]+ 212.01145 136.0
[M+HCOO]- 274.01239 159.7
[M+CH3COO]- 288.02804 186.9
[M+Na-2H]- 249.98886 145.9
[M]+ 229.01364 147.8
[M]- 229.01474 147.8
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