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

10
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 128.1
[M+Na]+ 192.03796 134.8
[M-H]- 168.04146 130.2
[M+NH4]+ 187.08256 137.5
[M+K]+ 208.01190 138.1
[M+H-H2O]+ 152.04600 115.4
[M+HCOO]- 214.04694 146.0
[M+CH3COO]- 228.06259 177.1
[M+Na-2H]- 190.02341 133.2
[M]+ 169.04819 136.8
[M]- 169.04929 136.8
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