CID 12407500

Ethyl 2-(3-nitropyridin-4-yl)acetate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CCOC(=O)CC1=C(C=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c1-2-15-9(12)5-7-3-4-10-6-8(7)11(13)14/h3-4,6H,2,5H2,1H3
InChIKey
XNSRNWVUBGIIAW-UHFFFAOYSA-N
Compound name
ethyl 2-(3-nitropyridin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

210.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 142.6
[M+Na]+ 233.05328 149.6
[M-H]- 209.05678 145.1
[M+NH4]+ 228.09788 159.2
[M+K]+ 249.02722 144.7
[M+H-H2O]+ 193.06132 140.2
[M+HCOO]- 255.06226 166.7
[M+CH3COO]- 269.07791 179.6
[M+Na-2H]- 231.03873 150.1
[M]+ 210.06351 143.5
[M]- 210.06461 143.5
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