CID 105435380

2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetic acid

Structural Information

Molecular Formula
C7H11NO4
SMILES
CC1(CC(=O)N(O1)CC(=O)O)C
InChI
InChI=1S/C7H11NO4/c1-7(2)3-5(9)8(12-7)4-6(10)11/h3-4H2,1-2H3,(H,10,11)
InChIKey
JXFGUSTYEPVTBZ-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 132.1
[M+Na]+ 196.058018 140.7
[M-H]- 172.061524 134.1
[M+NH4]+ 191.102623 153.0
[M+K]+ 212.031958 141.3
[M+H-H2O]+ 156.066060 128.0
[M+HCOO]- 218.067001 151.7
[M+CH3COO]- 232.082651 175.3
[M+Na-2H]- 194.043466 136.6
[M]+ 173.06825142 133.3
[M]- 173.06934858 133.3
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.