CID 155943644

3-ethynyl-2-methoxy-5-nitropyridine

Structural Information

Molecular Formula
C8H6N2O3
SMILES
COC1=C(C=C(C=N1)[N+](=O)[O-])C#C
InChI
InChI=1S/C8H6N2O3/c1-3-6-4-7(10(11)12)5-9-8(6)13-2/h1,4-5H,2H3
InChIKey
KKOPWDTYUZJYAP-UHFFFAOYSA-N
Compound name
3-ethynyl-2-methoxy-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 134.4
[M+Na]+ 201.02706 147.7
[M+NH4]+ 196.07166 138.5
[M+K]+ 217.00100 141.5
[M-H]- 177.03056 128.7
[M+Na-2H]- 199.01251 137.8
[M]+ 178.03729 133.7
[M]- 178.03839 133.7
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.