CID 11412450

1195-20-6

Structural Information

Molecular Formula
C5H7NO4
SMILES
C[C@@H]1[C@H](NC(=O)O1)C(=O)O
InChI
InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3+/m1/s1
InChIKey
KYNKAUUXUQOZSQ-GBXIJSLDSA-N
Compound name
(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

145.0375 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04478 127.9
[M+Na]+ 168.02672 136.3
[M+NH4]+ 163.07132 133.6
[M+K]+ 184.00066 136.2
[M-H]- 144.03022 126.7
[M+Na-2H]- 166.01217 128.8
[M]+ 145.03695 128.2
[M]- 145.03805 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe