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]+ 180.087976 135.7
[M+Na]+ 202.069918 148.7
[M-H]- 178.073424 136.1
[M+NH4]+ 197.114523 153.5
[M+K]+ 218.043858 145.2
[M+H-H2O]+ 162.077960 127.7
[M+HCOO]- 224.078901 158.5
[M+CH3COO]- 238.094551 149.6
[M+Na-2H]- 200.055366 143.6
[M]+ 179.08015142 138.2
[M]- 179.08124858 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.