CID 6437125

10-undecenal digeranyl acetal

Structural Information

Molecular Formula
C31H54O2
SMILES
CC(=CCC/C(=C/COC(OC/C=C(/CCC=C(C)C)\C)CCCCCCCCC=C)/C)C
InChI
InChI=1S/C31H54O2/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/h8,18-19,23-24,31H,1,9-17,20-22,25-26H2,2-7H3/b29-23+,30-24+
InChIKey
QBQQCPSBCXSFTA-HCTXVGCHSA-N
Compound name
11,11-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]undec-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

458.41238 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.419656 224.2
[M+Na]+ 481.401598 235.0
[M-H]- 457.405104 215.9
[M+NH4]+ 476.446203 230.6
[M+K]+ 497.375538 234.5
[M+H-H2O]+ 441.409640 223.5
[M+HCOO]- 503.410581 227.4
[M+CH3COO]- 517.426231 242.4
[M+Na-2H]- 479.387046 215.0
[M]+ 458.41183142 225.1
[M]- 458.41292858 225.1
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