CID 483260

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

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC1=CC(=NO1)C2=C(C(=NN2C)C)N=O
InChI
InChI=1S/C9H10N4O2/c1-5-4-7(12-15-5)9-8(11-14)6(2)10-13(9)3/h4H,1-3H3
InChIKey
PIIZDVCZFSMBRZ-UHFFFAOYSA-N
Compound name
3-(2,5-dimethyl-4-nitrosopyrazol-3-yl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.08037 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 140.5
[M+Na]+ 229.06959 153.5
[M-H]- 205.07309 147.4
[M+NH4]+ 224.11419 158.9
[M+K]+ 245.04353 152.9
[M+H-H2O]+ 189.07763 132.7
[M+HCOO]- 251.07857 167.7
[M+CH3COO]- 265.09422 190.5
[M+Na-2H]- 227.05504 145.5
[M]+ 206.07982 147.8
[M]- 206.08092 147.8
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.