CID 15105333

2h,3h,5h,6h,7h-[1,2,4]triazolo[3,4-b][1,3]oxazin-3-one

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1CN2C(=O)NN=C2OC1
InChI
InChI=1S/C5H7N3O2/c9-4-6-7-5-8(4)2-1-3-10-5/h1-3H2,(H,6,9)
InChIKey
ILGGAINBKPISDY-UHFFFAOYSA-N
Compound name
2,5,6,7-tetrahydro-[1,2,4]triazolo[3,4-b][1,3]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

141.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 124.7
[M+Na]+ 164.04305 134.0
[M-H]- 140.04655 124.4
[M+NH4]+ 159.08765 142.9
[M+K]+ 180.01699 132.9
[M+H-H2O]+ 124.05109 117.5
[M+HCOO]- 186.05203 142.5
[M+CH3COO]- 200.06768 137.8
[M+Na-2H]- 162.02850 132.7
[M]+ 141.05328 122.6
[M]- 141.05438 122.6
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

patents stripe