CID 165604753

Rac-lithium(1+) (2r,5s)-5-(1h-1,2,4-triazol-3-yl)oxolane-2-carboxylate

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1C[C@H](O[C@H]1C2=NC=NN2)C(=O)O
InChI
InChI=1S/C7H9N3O3/c11-7(12)5-2-1-4(13-5)6-8-3-9-10-6/h3-5H,1-2H2,(H,11,12)(H,8,9,10)/t4-,5+/m1/s1
InChIKey
GCSMZTUEDJLQSP-UHNVWZDZSA-N
Compound name
(2S,5R)-5-(1H-1,2,4-triazol-5-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.8
[M+Na]+ 206.05361 143.9
[M-H]- 182.05711 137.8
[M+NH4]+ 201.09821 152.9
[M+K]+ 222.02755 143.2
[M+H-H2O]+ 166.06165 129.3
[M+HCOO]- 228.06259 154.1
[M+CH3COO]- 242.07824 172.6
[M+Na-2H]- 204.03906 139.0
[M]+ 183.06384 133.9
[M]- 183.06494 133.9
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.