CID 125515205

Ethyl 2-cyclopropyl-5-nitropyridine-3-carboxylate

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CCOC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])C2CC2
InChI
InChI=1S/C11H12N2O4/c1-2-17-11(14)9-5-8(13(15)16)6-12-10(9)7-3-4-7/h5-7H,2-4H2,1H3
InChIKey
ZJEYKYUHIPTNQL-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopropyl-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 148.2
[M+Na]+ 259.068928 157.1
[M-H]- 235.072434 154.8
[M+NH4]+ 254.113533 159.3
[M+K]+ 275.042868 150.1
[M+H-H2O]+ 219.076970 145.3
[M+HCOO]- 281.077911 172.1
[M+CH3COO]- 295.093561 188.5
[M+Na-2H]- 257.054376 154.6
[M]+ 236.07916142 151.2
[M]- 236.08025858 151.2
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.