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

41
Patents

164.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 131.9
[M+Na]+ 187.04780 140.0
[M-H]- 163.05130 134.6
[M+NH4]+ 182.09240 150.7
[M+K]+ 203.02174 133.9
[M+H-H2O]+ 147.05584 130.2
[M+HCOO]- 209.05678 157.0
[M+CH3COO]- 223.07243 171.7
[M+Na-2H]- 185.03325 140.9
[M]+ 164.05803 130.5
[M]- 164.05913 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