CID 105589

67785-67-5

Structural Information

Molecular Formula
C31H58O2
SMILES
CC(CCC=C(C)C)CCOC(CCCCCCCCC=C)OCCC(C)CCC=C(C)C
InChI
InChI=1S/C31H58O2/c1-8-9-10-11-12-13-14-15-22-31(32-25-23-29(6)20-16-18-27(2)3)33-26-24-30(7)21-17-19-28(4)5/h8,18-19,29-31H,1,9-17,20-26H2,2-7H3
InChIKey
DMBCVRVYNSAREL-UHFFFAOYSA-N
Compound name
11,11-bis(3,7-dimethyloct-6-enoxy)undec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

462.4437 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.45098 228.4
[M+Na]+ 485.43292 237.9
[M-H]- 461.43642 218.4
[M+NH4]+ 480.47752 234.1
[M+K]+ 501.40686 238.4
[M+H-H2O]+ 445.44096 226.9
[M+HCOO]- 507.44190 229.9
[M+CH3COO]- 521.45755 245.2
[M+Na-2H]- 483.41837 218.1
[M]+ 462.44315 229.7
[M]- 462.44425 229.7
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