CID 84653303

1782541-39-2

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1COCC2=C(N=NN21)C(=O)O
InChI
InChI=1S/C6H7N3O3/c10-6(11)5-4-3-12-2-1-9(4)8-7-5/h1-3H2,(H,10,11)
InChIKey
GFCGQXMVUWQYOZ-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-triazolo[5,1-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

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 131.8
[M+Na]+ 192.037958 140.2
[M-H]- 168.041464 131.5
[M+NH4]+ 187.082563 148.7
[M+K]+ 208.011898 139.9
[M+H-H2O]+ 152.046000 124.5
[M+HCOO]- 214.046941 148.5
[M+CH3COO]- 228.062591 173.5
[M+Na-2H]- 190.023406 138.2
[M]+ 169.04819142 130.9
[M]- 169.04928858 130.9
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.