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

18
Patents

458.41238 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.41966 224.2
[M+Na]+ 481.40160 235.0
[M-H]- 457.40510 215.9
[M+NH4]+ 476.44620 230.6
[M+K]+ 497.37554 234.5
[M+H-H2O]+ 441.40964 223.5
[M+HCOO]- 503.41058 227.4
[M+CH3COO]- 517.42623 242.4
[M+Na-2H]- 479.38705 215.0
[M]+ 458.41183 225.1
[M]- 458.41293 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