CID 83904853

Lithium(1+) ion 2-hydroxy-2-(oxetan-3-yl)acetate

Structural Information

Molecular Formula
C5H8O4
SMILES
C1C(CO1)C(C(=O)O)O
InChI
InChI=1S/C5H8O4/c6-4(5(7)8)3-1-9-2-3/h3-4,6H,1-2H2,(H,7,8)
InChIKey
HKZBOASSRSBTEY-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(oxetan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.04225 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 122.9
[M+Na]+ 155.03147 127.2
[M-H]- 131.03497 124.3
[M+NH4]+ 150.07607 135.1
[M+K]+ 171.00541 131.6
[M+H-H2O]+ 115.03951 112.9
[M+HCOO]- 177.04045 140.4
[M+CH3COO]- 191.05610 169.6
[M+Na-2H]- 153.01692 127.6
[M]+ 132.04170 130.0
[M]- 132.04280 130.0
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.