CID 82390793

Methyl 2-chloro-6-methyl-3-nitropyridine-4-carboxylate

Structural Information

Molecular Formula
C8H7ClN2O4
SMILES
CC1=CC(=C(C(=N1)Cl)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C8H7ClN2O4/c1-4-3-5(8(12)15-2)6(11(13)14)7(9)10-4/h3H,1-2H3
InChIKey
UYMZCNRHBIFZAK-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-methyl-3-nitropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.00943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01671 142.6
[M+Na]+ 252.99865 152.3
[M-H]- 229.00215 145.7
[M+NH4]+ 248.04325 159.8
[M+K]+ 268.97259 146.1
[M+H-H2O]+ 213.00669 141.9
[M+HCOO]- 275.00763 162.4
[M+CH3COO]- 289.02328 182.7
[M+Na-2H]- 250.98410 148.9
[M]+ 230.00888 146.0
[M]- 230.00998 146.0
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