CID 205207

17605-90-2

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=CC(=NN1C(=O)C2=CC(=NO2)C)C
InChI
InChI=1S/C10H11N3O2/c1-6-4-8(3)13(11-6)10(14)9-5-7(2)12-15-9/h4-5H,1-3H3
InChIKey
CWGQMMOHRBBHGE-UHFFFAOYSA-N
Compound name
(3,5-dimethylpyrazol-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 141.6
[M+Na]+ 228.07435 153.6
[M-H]- 204.07785 146.8
[M+NH4]+ 223.11895 159.5
[M+K]+ 244.04829 152.6
[M+H-H2O]+ 188.08239 134.2
[M+HCOO]- 250.08333 165.0
[M+CH3COO]- 264.09898 185.1
[M+Na-2H]- 226.05980 144.7
[M]+ 205.08458 147.1
[M]- 205.08568 147.1
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.