CID 93503013

1003889-05-1

Structural Information

Molecular Formula
C6H9NO4
SMILES
CC1([C@H](NC(=O)O1)C(=O)O)C
InChI
InChI=1S/C6H9NO4/c1-6(2)3(4(8)9)7-5(10)11-6/h3H,1-2H3,(H,7,10)(H,8,9)/t3-/m1/s1
InChIKey
KWKYHAGSZZGELR-GSVOUGTGSA-N
Compound name
(4S)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 128.9
[M+Na]+ 182.042378 137.4
[M-H]- 158.045884 129.6
[M+NH4]+ 177.086983 149.6
[M+K]+ 198.016318 137.4
[M+H-H2O]+ 142.050420 125.0
[M+HCOO]- 204.051361 147.2
[M+CH3COO]- 218.067011 169.8
[M+Na-2H]- 180.027826 133.3
[M]+ 159.05261142 127.7
[M]- 159.05370858 127.7
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.