CID 483259

5-methyl-3-(3-methyl-4-nitroso-1h-pyrazol-5-yl)isoxazole

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=CC(=NO1)C2=NNC(=C2N=O)C
InChI
InChI=1S/C8H8N4O2/c1-4-3-6(12-14-4)8-7(11-13)5(2)9-10-8/h3H,1-2H3,(H,9,10)
InChIKey
UVWDRZXRLFIKLY-UHFFFAOYSA-N
Compound name
5-methyl-3-(5-methyl-4-nitroso-1H-pyrazol-3-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 136.4
[M+Na]+ 215.05395 148.5
[M-H]- 191.05745 141.8
[M+NH4]+ 210.09855 154.4
[M+K]+ 231.02789 147.3
[M+H-H2O]+ 175.06199 128.7
[M+HCOO]- 237.06293 162.5
[M+CH3COO]- 251.07858 183.8
[M+Na-2H]- 213.03940 142.2
[M]+ 192.06418 141.1
[M]- 192.06528 141.1
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

No patent data available for this compound.