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]+ 200.06659 139.2
[M+Na]+ 222.04853 147.1
[M-H]- 198.05203 140.6
[M+NH4]+ 217.09313 154.9
[M+K]+ 238.02247 146.8
[M+H-H2O]+ 182.05657 132.0
[M+HCOO]- 244.05751 156.6
[M+CH3COO]- 258.07316 176.0
[M+Na-2H]- 220.03398 140.9
[M]+ 199.05876 138.1
[M]- 199.05986 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.