CID 132969546

1803187-88-3

Structural Information

Molecular Formula
C11H18O5
SMILES
CCOC(=O)[C@H](C(CC=C)C(=O)OCC)O
InChI
InChI=1S/C11H18O5/c1-4-7-8(10(13)15-5-2)9(12)11(14)16-6-3/h4,8-9,12H,1,5-7H2,2-3H3/t8?,9-/m0/s1
InChIKey
FZCZIRKXGPPAGI-GKAPJAKFSA-N
Compound name
diethyl (2S)-2-hydroxy-3-prop-2-enylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11542 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12270 153.1
[M+Na]+ 253.10464 157.8
[M-H]- 229.10814 151.4
[M+NH4]+ 248.14924 170.1
[M+K]+ 269.07858 157.9
[M+H-H2O]+ 213.11268 147.8
[M+HCOO]- 275.11362 171.6
[M+CH3COO]- 289.12927 189.1
[M+Na-2H]- 251.09009 152.2
[M]+ 230.11487 156.8
[M]- 230.11597 156.8
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.