CID 83904853

2138529-05-0

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]+ 133.049526 122.9
[M+Na]+ 155.031468 127.2
[M-H]- 131.034974 124.3
[M+NH4]+ 150.076073 135.1
[M+K]+ 171.005408 131.6
[M+H-H2O]+ 115.039510 112.9
[M+HCOO]- 177.040451 140.4
[M+CH3COO]- 191.056101 169.6
[M+Na-2H]- 153.016916 127.6
[M]+ 132.04170142 130.0
[M]- 132.04279858 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.