CID 138991240

2309457-51-8

Structural Information

Molecular Formula
C8H12N4O
SMILES
CN1CCN2C(=C(C=N2)CN)C1=O
InChI
InChI=1S/C8H12N4O/c1-11-2-3-12-7(8(11)13)6(4-9)5-10-12/h5H,2-4,9H2,1H3
InChIKey
CMHHIQBAGHPHFM-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-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

180.1011 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.108376 139.1
[M+Na]+ 203.090318 148.6
[M-H]- 179.093824 139.5
[M+NH4]+ 198.134923 157.9
[M+K]+ 219.064258 145.8
[M+H-H2O]+ 163.098360 131.5
[M+HCOO]- 225.099301 158.6
[M+CH3COO]- 239.114951 183.5
[M+Na-2H]- 201.075766 143.5
[M]+ 180.10055142 137.1
[M]- 180.10164858 137.1
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.