CID 6436451

141847-13-4

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCC/C=C/CCCCCC(CC(=O)OCC(C)C)C(=O)O
InChI
InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-18(20(22)23)15-19(21)24-16-17(2)3/h8-9,17-18H,4-7,10-16H2,1-3H3,(H,22,23)/b9-8+
InChIKey
CTQNIJLFRBJWKZ-CMDGGOBGSA-N
Compound name
(E)-2-[2-(2-methylpropoxy)-2-oxoethyl]tetradec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.26135 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 189.4
[M+Na]+ 363.25057 194.5
[M+NH4]+ 358.29517 200.6
[M+K]+ 379.22451 189.7
[M-H]- 339.25407 185.2
[M+Na-2H]- 361.23602 186.7
[M]+ 340.26080 188.3
[M]- 340.26190 188.3
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.