CID 135185456

3-(5-nitropyridin-2-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C8H6N2O4
SMILES
C1=CC(=NC=C1[N+](=O)[O-])/C=C/C(=O)O
InChI
InChI=1S/C8H6N2O4/c11-8(12)4-2-6-1-3-7(5-9-6)10(13)14/h1-5H,(H,11,12)/b4-2+
InChIKey
BCWCQKVOORDXFY-DUXPYHPUSA-N
Compound name
(E)-3-(5-nitropyridin-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.03276 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 137.0
[M+Na]+ 217.02198 149.1
[M+NH4]+ 212.06658 143.1
[M+K]+ 232.99592 147.2
[M-H]- 193.02548 137.7
[M+Na-2H]- 215.00743 142.0
[M]+ 194.03221 138.4
[M]- 194.03331 138.4
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