CID 88834028

Ethyl 2e,4z-hexadecadienoate

Structural Information

Molecular Formula
C18H32O2
SMILES
CCCCCCCCCCC/C=C\C=C\C(=O)OCC
InChI
InChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h14-17H,3-13H2,1-2H3/b15-14-,17-16+
InChIKey
QUHRGXQJTPAPQQ-PEMGLXIVSA-N
Compound name
ethyl (2E,4Z)-hexadeca-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.24023 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24751 176.1
[M+Na]+ 303.22945 179.2
[M-H]- 279.23295 174.4
[M+NH4]+ 298.27405 192.3
[M+K]+ 319.20339 175.5
[M+H-H2O]+ 263.23749 169.6
[M+HCOO]- 325.23843 196.1
[M+CH3COO]- 339.25408 203.5
[M+Na-2H]- 301.21490 175.6
[M]+ 280.23968 181.9
[M]- 280.24078 181.9
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