CID 111691

68892-05-7

Structural Information

Molecular Formula
C21H36O2
SMILES
CC(=CCCC(=CCOC(=O)CCCCCCCCC=C)C)C
InChI
InChI=1S/C21H36O2/c1-5-6-7-8-9-10-11-12-16-21(22)23-18-17-20(4)15-13-14-19(2)3/h5,14,17H,1,6-13,15-16,18H2,2-4H3
InChIKey
LUZKKLNTWSGPEE-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-2,6-dienyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

320.27155 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.27883 187.5
[M+Na]+ 343.26077 194.3
[M+NH4]+ 338.30537 191.9
[M+K]+ 359.23471 187.0
[M-H]- 319.26427 184.9
[M+Na-2H]- 341.24622 186.3
[M]+ 320.27100 187.3
[M]- 320.27210 187.3
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

patents stripe