CID 171120161

Fahfa(10:0/3-o-12:1(5z)

Structural Information

Molecular Formula
C22H40O4
SMILES
CCCCCCCCCC(=O)OC(C/C=C\CCCCCC)CC(=O)O
InChI
InChI=1S/C22H40O4/c1-3-5-7-9-11-13-15-17-20(19-21(23)24)26-22(25)18-16-14-12-10-8-6-4-2/h13,15,20H,3-12,14,16-19H2,1-2H3,(H,23,24)/b15-13-
InChIKey
FOBZAOHAGMIQIO-SQFISAMPSA-N
Compound name
(Z)-3-decanoyloxydodec-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.29266 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29994 200.9
[M+Na]+ 391.28188 201.2
[M-H]- 367.28538 197.0
[M+NH4]+ 386.32648 203.1
[M+K]+ 407.25582 197.6
[M+H-H2O]+ 351.28992 193.6
[M+HCOO]- 413.29086 209.2
[M+CH3COO]- 427.30651 218.7
[M+Na-2H]- 389.26733 195.3
[M]+ 368.29211 207.9
[M]- 368.29321 207.9
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.