CID 3024291

94291-87-9

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCC(OC)OCCC(C)CCC=C(C)C
InChI
InChI=1S/C22H44O2/c1-6-7-8-9-10-11-12-13-17-22(23-5)24-19-18-21(4)16-14-15-20(2)3/h15,21-22H,6-14,16-19H2,1-5H3
InChIKey
IRJKWMJAESWGCA-UHFFFAOYSA-N
Compound name
1-(3,7-dimethyloct-6-enoxy)-1-methoxyundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.33414 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.341416 198.4
[M+Na]+ 363.323358 198.8
[M-H]- 339.326864 196.0
[M+NH4]+ 358.367963 212.1
[M+K]+ 379.297298 196.1
[M+H-H2O]+ 323.331400 191.2
[M+HCOO]- 385.332341 214.6
[M+CH3COO]- 399.347991 219.9
[M+Na-2H]- 361.308806 193.1
[M]+ 340.33359142 206.0
[M]- 340.33468858 206.0
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.