CID 20526968

Lithium 2-(1,3,4-oxadiazol-2-yl)acetate

Structural Information

Molecular Formula
C4H4N2O3
SMILES
C1=NN=C(O1)CC(=O)O
InChI
InChI=1S/C4H4N2O3/c7-4(8)1-3-6-5-2-9-3/h2H,1H2,(H,7,8)
InChIKey
ULWQCKFXIGLLKA-UHFFFAOYSA-N
Compound name
2-(1,3,4-oxadiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

128.02219 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02947 120.3
[M+Na]+ 151.01141 129.3
[M-H]- 127.01491 120.9
[M+NH4]+ 146.05601 139.3
[M+K]+ 166.98535 130.1
[M+H-H2O]+ 111.01945 113.9
[M+HCOO]- 173.02039 142.1
[M+CH3COO]- 187.03604 165.1
[M+Na-2H]- 148.99686 127.8
[M]+ 128.02164 121.8
[M]- 128.02274 121.8
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

patents stripe