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-nitro-4-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

210.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 142.6
[M+Na]+ 233.053278 149.6
[M-H]- 209.056784 145.1
[M+NH4]+ 228.097883 159.2
[M+K]+ 249.027218 144.7
[M+H-H2O]+ 193.061320 140.2
[M+HCOO]- 255.062261 166.7
[M+CH3COO]- 269.077911 179.6
[M+Na-2H]- 231.038726 150.1
[M]+ 210.06351142 143.5
[M]- 210.06460858 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