CID 14386787

5-ethenyl-2-nitropyridine

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C=CC1=CN=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O2/c1-2-6-3-4-7(8-5-6)9(10)11/h2-5H,1H2
InChIKey
YTCBXYKWOQWDLZ-UHFFFAOYSA-N
Compound name
5-ethenyl-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.04292 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 126.8
[M+Na]+ 173.032138 135.3
[M-H]- 149.035644 129.7
[M+NH4]+ 168.076743 146.1
[M+K]+ 189.006078 129.4
[M+H-H2O]+ 133.040180 125.3
[M+HCOO]- 195.041121 152.2
[M+CH3COO]- 209.056771 169.3
[M+Na-2H]- 171.017586 136.4
[M]+ 150.04237142 125.1
[M]- 150.04346858 125.1
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