CID 97545186

1707403-03-9

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1C(CO1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C6H7N3O3/c10-6(11)5-1-9(8-7-5)4-2-12-3-4/h1,4H,2-3H2,(H,10,11)
InChIKey
XNZMBOFLVOQECH-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.04874 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 131.9
[M+Na]+ 192.03796 137.8
[M+NH4]+ 187.08256 133.8
[M+K]+ 208.01190 138.9
[M-H]- 168.04146 129.5
[M+Na-2H]- 190.02341 133.6
[M]+ 169.04819 130.4
[M]- 169.04929 130.4
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