CID 6444519

Brn 0004777

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C/C(=C/C1=CN=CC=C1)/[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O2/c1-7(10(11)12)5-8-3-2-4-9-6-8/h2-6H,1H3/b7-5-
InChIKey
RUSUNWVZTBJUHM-ALCCZGGFSA-N
Compound name
3-[(Z)-2-nitroprop-1-enyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.6
[M+Na]+ 187.04780 144.8
[M+NH4]+ 182.09240 139.6
[M+K]+ 203.02174 141.5
[M-H]- 163.05130 134.2
[M+Na-2H]- 185.03325 138.5
[M]+ 164.05803 134.0
[M]- 164.05913 134.0
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.