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

8
Patents

230.00943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.016706 142.6
[M+Na]+ 252.998648 152.3
[M-H]- 229.002154 145.7
[M+NH4]+ 248.043253 159.8
[M+K]+ 268.972588 146.1
[M+H-H2O]+ 213.006690 141.9
[M+HCOO]- 275.007631 162.4
[M+CH3COO]- 289.023281 182.7
[M+Na-2H]- 250.984096 148.9
[M]+ 230.00888142 146.0
[M]- 230.00997858 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