CID 105589

1-undecene, 11,11-bis((3,7-dimethyl-6-octenyl)oxy)-

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

1
Patents

462.4437 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.450976 228.4
[M+Na]+ 485.432918 237.9
[M-H]- 461.436424 218.4
[M+NH4]+ 480.477523 234.1
[M+K]+ 501.406858 238.4
[M+H-H2O]+ 445.440960 226.9
[M+HCOO]- 507.441901 229.9
[M+CH3COO]- 521.457551 245.2
[M+Na-2H]- 483.418366 218.1
[M]+ 462.44315142 229.7
[M]- 462.44424858 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