CID 126836950

2094616-91-6

Structural Information

Molecular Formula
C7H11N5O
SMILES
CNCC1=NN=C2N1CCNC2=O
InChI
InChI=1S/C7H11N5O/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6/h8H,2-4H2,1H3,(H,9,13)
InChIKey
HKYVSOMIZBMBEB-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09636 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10364 139.3
[M+Na]+ 204.08558 147.8
[M-H]- 180.08908 137.2
[M+NH4]+ 199.13018 155.8
[M+K]+ 220.05952 144.6
[M+H-H2O]+ 164.09362 130.9
[M+HCOO]- 226.09456 156.9
[M+CH3COO]- 240.11021 180.5
[M+Na-2H]- 202.07103 145.4
[M]+ 181.09581 136.2
[M]- 181.09691 136.2
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.