CID 568731

Methyl (5z)-2-methoxy-5-hexadecenoate

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCC=CCCC(C(=O)OC)OC
InChI
InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h13-14,17H,4-12,15-16H2,1-3H3
InChIKey
CTVWZQNQTIGFBN-UHFFFAOYSA-N
Compound name
methyl 2-methoxyhexadec-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.258076 181.1
[M+Na]+ 321.240018 183.7
[M-H]- 297.243524 179.4
[M+NH4]+ 316.284623 196.5
[M+K]+ 337.213958 181.4
[M+H-H2O]+ 281.248060 174.4
[M+HCOO]- 343.249001 200.2
[M+CH3COO]- 357.264651 207.6
[M+Na-2H]- 319.225466 179.3
[M]+ 298.25025142 188.5
[M]- 298.25134858 188.5
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.