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]+ 166.072336 131.0
[M+Na]+ 188.054278 143.1
[M-H]- 164.057784 129.8
[M+NH4]+ 183.098883 148.3
[M+K]+ 204.028218 139.0
[M+H-H2O]+ 148.062320 123.1
[M+HCOO]- 210.063261 152.7
[M+CH3COO]- 224.078911 144.3
[M+Na-2H]- 186.039726 139.7
[M]+ 165.06451142 130.9
[M]- 165.06560858 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.