CID 63563450

1-(oxolan-3-yl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1COCC1N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C7H9N3O3/c11-7(12)6-3-10(9-8-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H,11,12)
InChIKey
LYHIKNKEQITTAB-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.0
[M+Na]+ 206.05361 143.6
[M-H]- 182.05711 138.3
[M+NH4]+ 201.09821 152.8
[M+K]+ 222.02755 143.8
[M+H-H2O]+ 166.06165 128.3
[M+HCOO]- 228.06259 154.8
[M+CH3COO]- 242.07824 175.1
[M+Na-2H]- 204.03906 138.7
[M]+ 183.06384 134.9
[M]- 183.06494 134.9
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.