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]+ 160.06044 128.9
[M+Na]+ 182.04238 137.4
[M-H]- 158.04588 129.6
[M+NH4]+ 177.08698 149.6
[M+K]+ 198.01632 137.4
[M+H-H2O]+ 142.05042 125.0
[M+HCOO]- 204.05136 147.2
[M+CH3COO]- 218.06701 169.8
[M+Na-2H]- 180.02783 133.3
[M]+ 159.05261 127.7
[M]- 159.05371 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.