CID 135633812

1374509-60-0

Structural Information

Molecular Formula
C8H10N4O
SMILES
CC1=C(CN2C(=NC=N2)N1)C(=O)C
InChI
InChI=1S/C8H10N4O/c1-5-7(6(2)13)3-12-8(11-5)9-4-10-12/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey
QUPPKQQYLSOESW-UHFFFAOYSA-N
Compound name
1-(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08546 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 139.2
[M+Na]+ 201.07468 148.9
[M-H]- 177.07818 137.4
[M+NH4]+ 196.11928 156.2
[M+K]+ 217.04862 145.8
[M+H-H2O]+ 161.08272 131.2
[M+HCOO]- 223.08366 155.9
[M+CH3COO]- 237.09931 179.0
[M+Na-2H]- 199.06013 144.0
[M]+ 178.08491 138.0
[M]- 178.08601 138.0
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.