CID 483262

3-(2-ethyl-5-methyl-4-nitroso-2h-pyrazol-3-yl)-5-methyl-isoxazole

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CCN1C(=C(C(=N1)C)N=O)C2=NOC(=C2)C
InChI
InChI=1S/C10H12N4O2/c1-4-14-10(8-5-6(2)16-13-8)9(12-15)7(3)11-14/h5H,4H2,1-3H3
InChIKey
JWWGWPTUJXUPLO-UHFFFAOYSA-N
Compound name
3-(2-ethyl-5-methyl-4-nitrosopyrazol-3-yl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 145.1
[M+Na]+ 243.08524 157.7
[M-H]- 219.08874 151.9
[M+NH4]+ 238.12984 163.0
[M+K]+ 259.05918 156.8
[M+H-H2O]+ 203.09328 137.2
[M+HCOO]- 265.09422 172.0
[M+CH3COO]- 279.10987 193.5
[M+Na-2H]- 241.07069 149.6
[M]+ 220.09547 152.8
[M]- 220.09657 152.8
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.