CID 10867702

129228-11-1

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CC(C)CCC(COC)(COC)C(C)C

InChI

InChI=1S/C13H28O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4/h11-12H,7-10H2,1-6H3

InChIKey

BHPDSAAGSUWVMP-UHFFFAOYSA-N

Compound name

3,3-bis(methoxymethyl)-2,6-dimethylheptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4218
Patents: 216.20892 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.21620	155.3
[M+Na]+	239.19814	163.5
[M+NH4]+	234.24274	161.9
[M+K]+	255.17208	158.9
[M-H]-	215.20164	153.6
[M+Na-2H]-	237.18359	156.9
[M]+	216.20837	155.8
[M]-	216.20947	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe