CID 3022843

Einecs 299-722-9

Structural Information

Molecular Formula
C21H44O2
SMILES
CCCCCCCCCC(OC)OCCC(C)CCCC(C)C
InChI
InChI=1S/C21H44O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h19-21H,6-18H2,1-5H3
InChIKey
DKWLTGSORMOOAT-UHFFFAOYSA-N
Compound name
1-(3,7-dimethyloctoxy)-1-methoxydecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.33414 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.341416 195.6
[M+Na]+ 351.323358 195.9
[M-H]- 327.326864 193.2
[M+NH4]+ 346.367963 209.7
[M+K]+ 367.297298 194.0
[M+H-H2O]+ 311.331400 188.3
[M+HCOO]- 373.332341 211.8
[M+CH3COO]- 387.347991 218.4
[M+Na-2H]- 349.308806 190.7
[M]+ 328.33359142 203.5
[M]- 328.33468858 203.5
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.