CID 125515386

2089258-19-3

Structural Information

Molecular Formula
C8H11N5O
SMILES
CN1C=CN2C(=NN=C2C1=O)CCN
InChI
InChI=1S/C8H11N5O/c1-12-4-5-13-6(2-3-9)10-11-7(13)8(12)14/h4-5H,2-3,9H2,1H3
InChIKey
SCTVOJYVMZEEST-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-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

193.09636 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 140.2
[M+Na]+ 216.08558 152.8
[M-H]- 192.08908 140.4
[M+NH4]+ 211.13018 157.5
[M+K]+ 232.05952 149.0
[M+H-H2O]+ 176.09362 132.0
[M+HCOO]- 238.09456 162.7
[M+CH3COO]- 252.11021 185.6
[M+Na-2H]- 214.07103 147.6
[M]+ 193.09581 143.1
[M]- 193.09691 143.1
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.