CID 154271375

Dtxsid201135105

Structural Information

Molecular Formula
C18H32O5
SMILES
CCCCCCCCCCCCOCCOC(=O)C=CC(=O)O
InChI
InChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-10-11-14-22-15-16-23-18(21)13-12-17(19)20/h12-13H,2-11,14-16H2,1H3,(H,19,20)
InChIKey
MLHOPCRYYVFEHL-UHFFFAOYSA-N
Compound name
4-(2-dodecoxyethoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.22498 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.232256 184.8
[M+Na]+ 351.214198 187.0
[M-H]- 327.217704 181.6
[M+NH4]+ 346.258803 198.0
[M+K]+ 367.188138 184.3
[M+H-H2O]+ 311.222240 177.9
[M+HCOO]- 373.223181 203.0
[M+CH3COO]- 387.238831 208.1
[M+Na-2H]- 349.199646 182.7
[M]+ 328.22443142 192.4
[M]- 328.22552858 192.4
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.