CID 385166

Nsc676173

Structural Information

Molecular Formula
C7H12N4O2
SMILES
C1CNC2=NN(C(=O)N2C1)CCO
InChI
InChI=1S/C7H12N4O2/c12-5-4-11-7(13)10-3-1-2-8-6(10)9-11/h12H,1-5H2,(H,8,9)
InChIKey
VBBHCNJXARGZNC-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10330 140.1
[M+Na]+ 207.08524 148.9
[M-H]- 183.08874 136.5
[M+NH4]+ 202.12984 156.1
[M+K]+ 223.05918 145.4
[M+H-H2O]+ 167.09328 132.1
[M+HCOO]- 229.09422 155.2
[M+CH3COO]- 243.10987 175.3
[M+Na-2H]- 205.07069 145.0
[M]+ 184.09547 137.2
[M]- 184.09657 137.2
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.