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]+ 283.263176 178.2
[M+Na]+ 305.245118 180.8
[M-H]- 281.248624 176.6
[M+NH4]+ 300.289723 194.4
[M+K]+ 321.219058 178.1
[M+H-H2O]+ 265.253160 171.7
[M+HCOO]- 327.254101 197.0
[M+CH3COO]- 341.269751 205.8
[M+Na-2H]- 303.230566 176.4
[M]+ 282.25535142 184.2
[M]- 282.25644858 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

literature stripe

Patent stripe

patents stripe