CID 82407390

2225145-01-5

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1COCC2=NN=C(N21)CC(=O)O
InChI
InChI=1S/C7H9N3O3/c11-7(12)3-5-8-9-6-4-13-2-1-10(5)6/h1-4H2,(H,11,12)
InChIKey
SSPWGFZESFIBDD-UHFFFAOYSA-N
Compound name
2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 137.4
[M+Na]+ 206.05361 147.7
[M+NH4]+ 201.09821 143.7
[M+K]+ 222.02755 146.1
[M-H]- 182.05711 137.0
[M+Na-2H]- 204.03906 139.8
[M]+ 183.06384 138.3
[M]- 183.06494 138.3
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.