CID 105592

67785-73-3

Structural Information

Molecular Formula
C29H52O2
SMILES
CCCCCCCCC(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChI
InChI=1S/C29H52O2/c1-8-9-10-11-12-13-20-29(30-23-21-27(6)18-14-16-25(2)3)31-24-22-28(7)19-15-17-26(4)5/h16-17,21-22,29H,8-15,18-20,23-24H2,1-7H3
InChIKey
FOZNRVHWZWWCPV-UHFFFAOYSA-N
Compound name
1-[1-(3,7-dimethylocta-2,6-dienoxy)nonoxy]-3,7-dimethylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.39673 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.40401 224.7
[M+Na]+ 455.38595 230.3
[M-H]- 431.38945 211.4
[M+NH4]+ 450.43055 225.8
[M+K]+ 471.35989 217.6
[M+H-H2O]+ 415.39399 217.0
[M+HCOO]- 477.39493 222.9
[M+CH3COO]- 491.41058 237.4
[M+Na-2H]- 453.37140 213.6
[M]+ 432.39618 221.0
[M]- 432.39728 221.0
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

No patent data available for this compound.