CID 138040838

2243513-84-8

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1CN2C(=NNC2=O)CC1N
InChI
InChI=1S/C6H10N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h4H,1-3,7H2,(H,9,11)
InChIKey
YAMLHRYTOYFXPH-UHFFFAOYSA-N
Compound name
7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 130.6
[M+Na]+ 177.07468 139.5
[M-H]- 153.07818 129.5
[M+NH4]+ 172.11928 149.4
[M+K]+ 193.04862 136.4
[M+H-H2O]+ 137.08272 123.3
[M+HCOO]- 199.08366 149.3
[M+CH3COO]- 213.09931 142.9
[M+Na-2H]- 175.06013 136.3
[M]+ 154.08491 125.6
[M]- 154.08601 125.6
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.