CID 115818

Butanedioic acid, dodecenyl-, monomethyl ester

Structural Information

Molecular Formula
C17H30O4
SMILES
CCCCC=CCCCCCCC(CC(=O)O)C(=O)OC
InChI
InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(14-16(18)19)17(20)21-2/h6-7,15H,3-5,8-14H2,1-2H3,(H,18,19)
InChIKey
VSPIKCBVTKGIEO-UHFFFAOYSA-N
Compound name
3-methoxycarbonylpentadec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

298.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22170 176.8
[M+Na]+ 321.20364 182.9
[M+NH4]+ 316.24824 180.5
[M+K]+ 337.17758 177.9
[M-H]- 297.20714 173.0
[M+Na-2H]- 319.18909 175.2
[M]+ 298.21387 176.0
[M]- 298.21497 176.0
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.