CID 12164729

1082693-24-0

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CC=NC(=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O2/c10-9(11)6-4-7-3-1-2-5-8-7/h1-6H/b6-4+
InChIKey
NENONAVUOMQKMC-GQCTYLIASA-N
Compound name
2-[(E)-2-nitroethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

150.04292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 127.6
[M+Na]+ 173.032138 135.1
[M-H]- 149.035644 130.0
[M+NH4]+ 168.076743 146.6
[M+K]+ 189.006078 129.3
[M+H-H2O]+ 133.040180 125.8
[M+HCOO]- 195.041121 153.0
[M+CH3COO]- 209.056771 167.6
[M+Na-2H]- 171.017586 137.8
[M]+ 150.04237142 125.4
[M]- 150.04346858 125.4
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