CID 121199878

2089257-99-6

Structural Information

Molecular Formula
C6H7N5O
SMILES
C1=CN2C(=NN=C2C(=O)N1)CN
InChI
InChI=1S/C6H7N5O/c7-3-4-9-10-5-6(12)8-1-2-11(4)5/h1-2H,3,7H2,(H,8,12)
InChIKey
GSYKSYODOFFZTC-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 131.0
[M+Na]+ 188.05428 143.1
[M-H]- 164.05778 129.8
[M+NH4]+ 183.09888 148.3
[M+K]+ 204.02822 139.0
[M+H-H2O]+ 148.06232 123.1
[M+HCOO]- 210.06326 152.7
[M+CH3COO]- 224.07891 144.3
[M+Na-2H]- 186.03973 139.7
[M]+ 165.06451 130.9
[M]- 165.06561 130.9
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.