CID 56936008

7-methyloctyl (z)-4-decenoate

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCC/C=C\CCC(=O)OCCCCCCC(C)C
InChI
InChI=1S/C19H36O2/c1-4-5-6-7-8-9-13-16-19(20)21-17-14-11-10-12-15-18(2)3/h8-9,18H,4-7,10-17H2,1-3H3/b9-8-
InChIKey
QQVJZGWWRQZVQB-HJWRWDBZSA-N
Compound name
7-methyloctyl (Z)-dec-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.27155 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 182.8
[M+Na]+ 319.26077 185.0
[M-H]- 295.26427 180.9
[M+NH4]+ 314.30537 198.3
[M+K]+ 335.23471 182.0
[M+H-H2O]+ 279.26881 176.1
[M+HCOO]- 341.26975 201.2
[M+CH3COO]- 355.28540 208.7
[M+Na-2H]- 317.24622 180.4
[M]+ 296.27100 189.1
[M]- 296.27210 189.1
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.