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]+ 183.087646 136.3
[M+Na]+ 205.069588 145.1
[M-H]- 181.073094 139.6
[M+NH4]+ 200.114193 152.0
[M+K]+ 221.043528 143.9
[M+H-H2O]+ 165.077630 127.7
[M+HCOO]- 227.078571 157.0
[M+CH3COO]- 241.094221 179.7
[M+Na-2H]- 203.055036 141.9
[M]+ 182.07982142 134.2
[M]- 182.08091858 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.