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]+ 237.08699 148.2
[M+Na]+ 259.06893 157.1
[M-H]- 235.07243 154.8
[M+NH4]+ 254.11353 159.3
[M+K]+ 275.04287 150.1
[M+H-H2O]+ 219.07697 145.3
[M+HCOO]- 281.07791 172.1
[M+CH3COO]- 295.09356 188.5
[M+Na-2H]- 257.05438 154.6
[M]+ 236.07916 151.2
[M]- 236.08026 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.