CID 2999137

159494-27-6

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1CC(OC1)N2C(=O)N=C(C=N2)N
InChI
InChI=1S/C7H10N4O2/c8-5-4-9-11(7(12)10-5)6-2-1-3-13-6/h4,6H,1-3H2,(H2,8,10,12)
InChIKey
JSPJPNQZMGMWJV-UHFFFAOYSA-N
Compound name
5-amino-2-(oxolan-2-yl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

182.08037 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 136.3
[M+Na]+ 205.06959 145.1
[M-H]- 181.07309 139.6
[M+NH4]+ 200.11419 152.0
[M+K]+ 221.04353 143.9
[M+H-H2O]+ 165.07763 127.7
[M+HCOO]- 227.07857 157.0
[M+CH3COO]- 241.09422 179.7
[M+Na-2H]- 203.05504 141.9
[M]+ 182.07982 134.2
[M]- 182.08092 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.