CID 483255

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

Structural Information

Molecular Formula
C10H13N3O
SMILES
CCN1C(=CC(=N1)C)C2=NOC(=C2)C
InChI
InChI=1S/C10H13N3O/c1-4-13-10(5-7(2)11-13)9-6-8(3)14-12-9/h5-6H,4H2,1-3H3
InChIKey
NFEBUIPFSQEGCB-UHFFFAOYSA-N
Compound name
3-(2-ethyl-5-methylpyrazol-3-yl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 138.9
[M+Na]+ 214.09509 151.1
[M-H]- 190.09859 143.9
[M+NH4]+ 209.13969 157.5
[M+K]+ 230.06903 149.6
[M+H-H2O]+ 174.10313 131.5
[M+HCOO]- 236.10407 163.0
[M+CH3COO]- 250.11972 183.7
[M+Na-2H]- 212.08054 143.1
[M]+ 191.10532 144.4
[M]- 191.10642 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.