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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe