CID 113461

1,1-diethoxy-7-methoxy-3,7-dimethyloctane

Structural Information

Molecular Formula
C15H32O3
SMILES
CCOC(CC(C)CCCC(C)(C)OC)OCC
InChI
InChI=1S/C15H32O3/c1-7-17-14(18-8-2)12-13(3)10-9-11-15(4,5)16-6/h13-14H,7-12H2,1-6H3
InChIKey
COYJTQAUBRDBJL-UHFFFAOYSA-N
Compound name
1,1-diethoxy-7-methoxy-3,7-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.23514 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.242416 169.5
[M+Na]+ 283.224358 173.1
[M-H]- 259.227864 168.7
[M+NH4]+ 278.268963 186.7
[M+K]+ 299.198298 173.3
[M+H-H2O]+ 243.232400 164.0
[M+HCOO]- 305.233341 187.6
[M+CH3COO]- 319.248991 202.2
[M+Na-2H]- 281.209806 170.2
[M]+ 260.23459142 176.9
[M]- 260.23568858 176.9
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.