CID 6436648

Methyl (e)-14-methylhexadec-8-enoate

Structural Information

Molecular Formula
C18H34O2
SMILES
CCC(C)CCCC/C=C/CCCCCCC(=O)OC
InChI
InChI=1S/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5,7,17H,4,6,8-16H2,1-3H3/b7-5+
InChIKey
KXKSZSXMFYJWFU-FNORWQNLSA-N
Compound name
methyl (E)-14-methylhexadec-8-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

282.2559 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 178.2
[M+Na]+ 305.24512 180.8
[M-H]- 281.24862 176.6
[M+NH4]+ 300.28972 194.4
[M+K]+ 321.21906 178.1
[M+H-H2O]+ 265.25316 171.7
[M+HCOO]- 327.25410 197.0
[M+CH3COO]- 341.26975 205.8
[M+Na-2H]- 303.23057 176.4
[M]+ 282.25535 184.2
[M]- 282.25645 184.2
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.