CID 11287580

Ethyl (e)-2-dodecenoate

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCCCCC/C=C/C(=O)OCC
InChI
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3/b13-12+
InChIKey
GZXNVYMVJSTRNI-OUKQBFOZSA-N
Compound name
ethyl (E)-dodec-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

25
Patents

226.19328 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 158.6
[M+Na]+ 249.18250 167.4
[M+NH4]+ 244.22710 164.9
[M+K]+ 265.15644 160.2
[M-H]- 225.18600 157.2
[M+Na-2H]- 247.16795 160.1
[M]+ 226.19273 159.1
[M]- 226.19383 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe