CID 21818162

Dtxsid20944977

Structural Information

Molecular Formula
C15H26O4
SMILES
CCC[C@@H](C)C(CC=C)(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C15H26O4/c1-6-10-12(5)15(11-7-2,13(16)18-8-3)14(17)19-9-4/h7,12H,2,6,8-11H2,1,3-5H3/t12-/m1/s1
InChIKey
VTRMVPBHEGUYBA-GFCCVEGCSA-N
Compound name
diethyl 2-[(2R)-pentan-2-yl]-2-prop-2-enylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1831 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19038 166.8
[M+Na]+ 293.17232 171.2
[M-H]- 269.17582 166.2
[M+NH4]+ 288.21692 183.4
[M+K]+ 309.14626 170.6
[M+H-H2O]+ 253.18036 161.6
[M+HCOO]- 315.18130 184.9
[M+CH3COO]- 329.19695 200.9
[M+Na-2H]- 291.15777 166.6
[M]+ 270.18255 172.8
[M]- 270.18365 172.8
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.