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

8
Patents

169.04874 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 128.1
[M+Na]+ 192.037958 134.8
[M-H]- 168.041464 130.2
[M+NH4]+ 187.082563 137.5
[M+K]+ 208.011898 138.1
[M+H-H2O]+ 152.046000 115.4
[M+HCOO]- 214.046941 146.0
[M+CH3COO]- 228.062591 177.1
[M+Na-2H]- 190.023406 133.2
[M]+ 169.04819142 136.8
[M]- 169.04928858 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