CID 168492430

3-ethynyl-5-methyl-4h,5h,6h,7h-pyrazolo[1,5-a]pyrazin-4-one

Structural Information

Molecular Formula
C9H9N3O
SMILES
CN1CCN2C(=C(C=N2)C#C)C1=O
InChI
InChI=1S/C9H9N3O/c1-3-7-6-10-12-5-4-11(2)9(13)8(7)12/h1,6H,4-5H2,2H3
InChIKey
ONXOTUZMLGAYIJ-UHFFFAOYSA-N
Compound name
3-ethynyl-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.0
[M+Na]+ 198.063768 145.7
[M-H]- 174.067274 132.6
[M+NH4]+ 193.108373 150.8
[M+K]+ 214.037708 140.8
[M+H-H2O]+ 158.071810 120.1
[M+HCOO]- 220.072751 147.1
[M+CH3COO]- 234.088401 145.1
[M+Na-2H]- 196.049216 137.5
[M]+ 175.07400142 127.7
[M]- 175.07509858 127.7
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.