CID 3022844

Einecs 299-725-5

Structural Information

Molecular Formula
C21H42O2
SMILES
CCCCCCCCCC(OC)OCCC(C)CCC=C(C)C
InChI
InChI=1S/C21H42O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h14,20-21H,6-13,15-18H2,1-5H3
InChIKey
JVPUXLNHNKOZAQ-UHFFFAOYSA-N
Compound name
1-(3,7-dimethyloct-6-enoxy)-1-methoxydecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.31848 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.325756 193.9
[M+Na]+ 349.307698 194.7
[M-H]- 325.311204 191.7
[M+NH4]+ 344.352303 208.2
[M+K]+ 365.281638 192.2
[M+H-H2O]+ 309.315740 186.8
[M+HCOO]- 371.316681 210.4
[M+CH3COO]- 385.332331 216.9
[M+Na-2H]- 347.293146 189.1
[M]+ 326.31793142 201.1
[M]- 326.31902858 201.1
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

No patent data available for this compound.