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]+ 231.122696 153.1
[M+Na]+ 253.104638 157.8
[M-H]- 229.108144 151.4
[M+NH4]+ 248.149243 170.1
[M+K]+ 269.078578 157.9
[M+H-H2O]+ 213.112680 147.8
[M+HCOO]- 275.113621 171.6
[M+CH3COO]- 289.129271 189.1
[M+Na-2H]- 251.090086 152.2
[M]+ 230.11487142 156.8
[M]- 230.11596858 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.