CID 119031744

1807891-13-9

Structural Information

Molecular Formula
C8H11N3O4
SMILES
COC(=O)C1=CN(N=N1)[C@@H]2COC[C@H]2O
InChI
InChI=1S/C8H11N3O4/c1-14-8(13)5-2-11(10-9-5)6-3-15-4-7(6)12/h2,6-7,12H,3-4H2,1H3/t6-,7-/m1/s1
InChIKey
XVKRKAHAGSIFFG-RNFRBKRXSA-N
Compound name
methyl 1-[(3R,4S)-4-hydroxyoxolan-3-yl]triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07495 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.082226 143.2
[M+Na]+ 236.064168 151.1
[M-H]- 212.067674 145.8
[M+NH4]+ 231.108773 159.1
[M+K]+ 252.038108 151.6
[M+H-H2O]+ 196.072210 135.6
[M+HCOO]- 258.073151 161.8
[M+CH3COO]- 272.088801 180.7
[M+Na-2H]- 234.049616 144.8
[M]+ 213.07440142 144.2
[M]- 213.07549858 144.2
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.