CID 201284

5775-94-0

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=CC(=O)OC2=C1C(=NN2C)C
InChI
InChI=1S/C9H10N2O2/c1-5-4-7(12)13-9-8(5)6(2)10-11(9)3/h4H,1-3H3
InChIKey
HIIWFJVGTUDPDZ-UHFFFAOYSA-N
Compound name
1,3,4-trimethylpyrano[3,2-d]pyrazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 132.8
[M+Na]+ 201.063448 146.8
[M-H]- 177.066954 137.2
[M+NH4]+ 196.108053 153.1
[M+K]+ 217.037388 145.1
[M+H-H2O]+ 161.071490 126.8
[M+HCOO]- 223.072431 156.6
[M+CH3COO]- 237.088081 181.8
[M+Na-2H]- 199.048896 140.4
[M]+ 178.07368142 139.2
[M]- 178.07477858 139.2
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.