CID 82412967

2309466-00-8

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1COCC2=NN=C(N21)C(=O)O
InChI
InChI=1S/C6H7N3O3/c10-6(11)5-8-7-4-3-12-2-1-9(4)5/h1-3H2,(H,10,11)
InChIKey
DXLOMAOPLDRRMR-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 133.0
[M+Na]+ 192.03796 143.4
[M+NH4]+ 187.08256 139.4
[M+K]+ 208.01190 142.1
[M-H]- 168.04146 132.6
[M+Na-2H]- 190.02341 135.6
[M]+ 169.04819 133.9
[M]- 169.04929 133.9
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.