CID 129866813

2-phenylethyl (11z)-11-hexadecenoate

Structural Information

Molecular Formula
C24H38O2
SMILES
CCCC/C=C\CCCCCCCCCC(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h5-6,14-16,18-19H,2-4,7-13,17,20-22H2,1H3/b6-5-
InChIKey
SICIUJCAQVBMHR-WAYWQWQTSA-N
Compound name
2-phenylethyl (Z)-hexadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.28717 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.29445 197.6
[M+Na]+ 381.27639 198.9
[M-H]- 357.27989 198.3
[M+NH4]+ 376.32099 210.1
[M+K]+ 397.25033 193.5
[M+H-H2O]+ 341.28443 188.8
[M+HCOO]- 403.28537 216.9
[M+CH3COO]- 417.30102 218.1
[M+Na-2H]- 379.26184 196.3
[M]+ 358.28662 203.6
[M]- 358.28772 203.6
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

No patent data available for this compound.