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]+ 214.08223 143.2
[M+Na]+ 236.06417 151.1
[M-H]- 212.06767 145.8
[M+NH4]+ 231.10877 159.1
[M+K]+ 252.03811 151.6
[M+H-H2O]+ 196.07221 135.6
[M+HCOO]- 258.07315 161.8
[M+CH3COO]- 272.08880 180.7
[M+Na-2H]- 234.04962 144.8
[M]+ 213.07440 144.2
[M]- 213.07550 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.