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]+ 176.08183 134.0
[M+Na]+ 198.06377 145.7
[M-H]- 174.06727 132.6
[M+NH4]+ 193.10837 150.8
[M+K]+ 214.03771 140.8
[M+H-H2O]+ 158.07181 120.1
[M+HCOO]- 220.07275 147.1
[M+CH3COO]- 234.08840 145.1
[M+Na-2H]- 196.04922 137.5
[M]+ 175.07400 127.7
[M]- 175.07510 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.