CID 126836958

2094918-71-3

Structural Information

Molecular Formula
C8H13N5O
SMILES
CN1CCN2C(=NN=C2C1=O)CCN
InChI
InChI=1S/C8H13N5O/c1-12-4-5-13-6(2-3-9)10-11-7(13)8(12)14/h2-5,9H2,1H3
InChIKey
MTXXEHUZONTNPR-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11201 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11929 144.3
[M+Na]+ 218.10123 153.8
[M-H]- 194.10473 143.3
[M+NH4]+ 213.14583 161.0
[M+K]+ 234.07517 150.8
[M+H-H2O]+ 178.10927 135.8
[M+HCOO]- 240.11021 162.4
[M+CH3COO]- 254.12586 186.5
[M+Na-2H]- 216.08668 148.5
[M]+ 195.11146 142.8
[M]- 195.11256 142.8
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.