CID 125515230

2089258-49-9

Structural Information

Molecular Formula
C7H9N5O
SMILES
CN1C=CN2C(=NN=C2C1=O)CN
InChI
InChI=1S/C7H9N5O/c1-11-2-3-12-5(4-8)9-10-6(12)7(11)13/h2-3H,4,8H2,1H3
InChIKey
BRVXOWINAUEMAX-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0807 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 135.7
[M+Na]+ 202.06992 148.7
[M-H]- 178.07342 136.1
[M+NH4]+ 197.11452 153.5
[M+K]+ 218.04386 145.2
[M+H-H2O]+ 162.07796 127.7
[M+HCOO]- 224.07890 158.5
[M+CH3COO]- 238.09455 149.6
[M+Na-2H]- 200.05537 143.6
[M]+ 179.08015 138.2
[M]- 179.08125 138.2
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.