CID 125515468

2089258-41-1

Structural Information

Molecular Formula
C8H11N5O
SMILES
CNCC1=NN=C2N1C=CN(C2=O)C
InChI
InChI=1S/C8H11N5O/c1-9-5-6-10-11-7-8(14)12(2)3-4-13(6)7/h3-4,9H,5H2,1-2H3
InChIKey
UJXGXCIFYCVXBX-UHFFFAOYSA-N
Compound name
7-methyl-3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09636 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 139.9
[M+Na]+ 216.08558 152.4
[M-H]- 192.08908 140.5
[M+NH4]+ 211.13018 157.3
[M+K]+ 232.05952 148.9
[M+H-H2O]+ 176.09362 131.5
[M+HCOO]- 238.09456 162.9
[M+CH3COO]- 252.11021 186.2
[M+Na-2H]- 214.07103 148.2
[M]+ 193.09581 143.6
[M]- 193.09691 143.6
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.