CID 504342

3-(3-nitro-4,5-dihydro-1h-pyrazol-5-yl)pyridine

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1C(NN=C1[N+](=O)[O-])C2=CN=CC=C2
InChI
InChI=1S/C8H8N4O2/c13-12(14)8-4-7(10-11-8)6-2-1-3-9-5-6/h1-3,5,7,10H,4H2
InChIKey
MSNVPWGPLSYOFY-UHFFFAOYSA-N
Compound name
3-(3-nitro-4,5-dihydro-1H-pyrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 137.4
[M+Na]+ 215.05395 144.5
[M-H]- 191.05745 139.3
[M+NH4]+ 210.09855 152.8
[M+K]+ 231.02789 137.5
[M+H-H2O]+ 175.06199 133.3
[M+HCOO]- 237.06293 158.9
[M+CH3COO]- 251.07858 171.6
[M+Na-2H]- 213.03940 145.7
[M]+ 192.06418 132.3
[M]- 192.06528 132.3
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.