CID 130811146

Rac-1-[(3r,4s)-4-hydroxyoxolan-3-yl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O4
SMILES
C1[C@H]([C@@H](CO1)O)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C7H9N3O4/c11-6-3-14-2-5(6)10-1-4(7(12)13)8-9-10/h1,5-6,11H,2-3H2,(H,12,13)/t5-,6-/m1/s1
InChIKey
XPHCOYJVUMMOSW-PHDIDXHHSA-N
Compound name
1-[(3R,4S)-4-hydroxyoxolan-3-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05931 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.066586 139.2
[M+Na]+ 222.048528 147.1
[M-H]- 198.052034 140.6
[M+NH4]+ 217.093133 154.9
[M+K]+ 238.022468 146.8
[M+H-H2O]+ 182.056570 132.0
[M+HCOO]- 244.057511 156.6
[M+CH3COO]- 258.073161 176.0
[M+Na-2H]- 220.033976 140.9
[M]+ 199.05876142 138.1
[M]- 199.05985858 138.1
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.