CID 483267

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

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CCCN1C(=C(C(=N1)C2=NOC(=C2)C)N=O)C
InChI
InChI=1S/C11H14N4O2/c1-4-5-15-8(3)10(13-16)11(12-15)9-6-7(2)17-14-9/h6H,4-5H2,1-3H3
InChIKey
HRTYQMPTQNFAFJ-UHFFFAOYSA-N
Compound name
5-methyl-3-(5-methyl-4-nitroso-1-propylpyrazol-3-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 149.8
[M+Na]+ 257.10090 161.9
[M-H]- 233.10440 156.4
[M+NH4]+ 252.14550 167.0
[M+K]+ 273.07484 160.8
[M+H-H2O]+ 217.10894 141.6
[M+HCOO]- 279.10988 176.3
[M+CH3COO]- 293.12553 196.4
[M+Na-2H]- 255.08635 153.7
[M]+ 234.11113 157.8
[M]- 234.11223 157.8
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.