CID 483253

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

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC(=NO1)C2=CC(=NN2C)C
InChI
InChI=1S/C9H11N3O/c1-6-4-9(12(3)10-6)8-5-7(2)13-11-8/h4-5H,1-3H3
InChIKey
XWTPYYBUZBHEDW-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

177.09021 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 134.3
[M+Na]+ 200.07943 146.8
[M-H]- 176.08293 139.3
[M+NH4]+ 195.12403 153.4
[M+K]+ 216.05337 145.6
[M+H-H2O]+ 160.08747 127.0
[M+HCOO]- 222.08841 158.6
[M+CH3COO]- 236.10406 149.6
[M+Na-2H]- 198.06488 139.0
[M]+ 177.08966 139.4
[M]- 177.09076 139.4
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.