CID 11217327

114948-71-9

Structural Information

Molecular Formula
C5H7NO4
SMILES
C1[C@H](OC(=O)N1)CC(=O)O
InChI
InChI=1S/C5H7NO4/c7-4(8)1-3-2-6-5(9)10-3/h3H,1-2H2,(H,6,9)(H,7,8)/t3-/m1/s1
InChIKey
MTZFESAXMFTYQB-GSVOUGTGSA-N
Compound name
2-[(5R)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

145.0375 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04478 126.6
[M+Na]+ 168.02672 133.7
[M-H]- 144.03022 126.7
[M+NH4]+ 163.07132 145.5
[M+K]+ 184.00066 133.7
[M+H-H2O]+ 128.03476 121.4
[M+HCOO]- 190.03570 145.3
[M+CH3COO]- 204.05135 166.0
[M+Na-2H]- 166.01217 130.7
[M]+ 145.03695 124.3
[M]- 145.03805 124.3
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

patents stripe