CID 296447

2,6-diethyl 4-chloropyridine-2,6-dicarboxylate

Structural Information

Molecular Formula
C11H12ClNO4
SMILES
CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)Cl
InChI
InChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
InChIKey
XQVRVZXJZVVBLW-UHFFFAOYSA-N
Compound name
diethyl 4-chloropyridine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

257.04547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.052746 151.0
[M+Na]+ 280.034688 160.2
[M-H]- 256.038194 153.7
[M+NH4]+ 275.079293 167.8
[M+K]+ 296.008628 157.8
[M+H-H2O]+ 240.042730 145.0
[M+HCOO]- 302.043671 168.5
[M+CH3COO]- 316.059321 192.8
[M+Na-2H]- 278.020136 154.3
[M]+ 257.04492142 158.0
[M]- 257.04601858 158.0
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