CID 6441354

Methyl 5-oxodecenoate

Structural Information

Molecular Formula
C11H18O3
SMILES
CCCCCC(=O)C/C=C/C(=O)OC
InChI
InChI=1S/C11H18O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKey
LZZLATQXZPEVKD-RMKNXTFCSA-N
Compound name
methyl (E)-5-oxodec-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 147.6
[M+Na]+ 221.11482 156.3
[M+NH4]+ 216.15942 153.4
[M+K]+ 237.08876 151.1
[M-H]- 197.11832 145.4
[M+Na-2H]- 219.10027 149.0
[M]+ 198.12505 147.8
[M]- 198.12615 147.8
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.