CID 57732966

2-methyl-5-[(e)-2-nitroethenyl]pyridine

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC1=NC=C(C=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O2/c1-7-2-3-8(6-9-7)4-5-10(11)12/h2-6H,1H3/b5-4+
InChIKey
SHFOVTPOZDIGET-SNAWJCMRSA-N
Compound name
2-methyl-5-[(E)-2-nitroethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

164.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 131.9
[M+Na]+ 187.047798 140.0
[M-H]- 163.051304 134.6
[M+NH4]+ 182.092403 150.7
[M+K]+ 203.021738 133.9
[M+H-H2O]+ 147.055840 130.2
[M+HCOO]- 209.056781 157.0
[M+CH3COO]- 223.072431 171.7
[M+Na-2H]- 185.033246 140.9
[M]+ 164.05803142 130.5
[M]- 164.05912858 130.5
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