CID 3071121

2,3,4-trimethylpyrano(2,3-c)pyrazol-6-one

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=CC(=O)OC2=NN(C(=C12)C)C
InChI
InChI=1S/C9H10N2O2/c1-5-4-7(12)13-9-8(5)6(2)11(3)10-9/h4H,1-3H3
InChIKey
ZHAWTLHEYWFLLL-UHFFFAOYSA-N
Compound name
2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 179.08151 132.8
[M+Na]+ 201.06345 146.8
[M-H]- 177.06695 137.2
[M+NH4]+ 196.10805 153.1
[M+K]+ 217.03739 145.1
[M+H-H2O]+ 161.07149 126.8
[M+HCOO]- 223.07243 156.6
[M+CH3COO]- 237.08808 181.8
[M+Na-2H]- 199.04890 140.4
[M]+ 178.07368 139.2
[M]- 178.07478 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.