CID 201057

3-(2-nitro-1-propen-1-yl)pyridine

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC(=CC1=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
InChIKey
RUSUNWVZTBJUHM-UHFFFAOYSA-N
Compound name
3-(2-nitroprop-1-enyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 132.1
[M+Na]+ 187.04780 139.0
[M-H]- 163.05130 134.5
[M+NH4]+ 182.09240 150.5
[M+K]+ 203.02174 133.4
[M+H-H2O]+ 147.05584 130.2
[M+HCOO]- 209.05678 156.2
[M+CH3COO]- 223.07243 171.3
[M+Na-2H]- 185.03325 140.6
[M]+ 164.05803 129.6
[M]- 164.05913 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe