CID 166344

1,1-dimethoxy-3,5,5-trimethylhexane

Structural Information

Molecular Formula
C11H24O2
SMILES
CC(CC(OC)OC)CC(C)(C)C
InChI
InChI=1S/C11H24O2/c1-9(8-11(2,3)4)7-10(12-5)13-6/h9-10H,7-8H2,1-6H3
InChIKey
OKMANJUJOSTZGX-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-3,5,5-trimethylhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

188.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.18491 147.8
[M+Na]+ 211.16685 153.2
[M-H]- 187.17035 147.8
[M+NH4]+ 206.21145 168.0
[M+K]+ 227.14079 153.9
[M+H-H2O]+ 171.17489 143.3
[M+HCOO]- 233.17583 167.0
[M+CH3COO]- 247.19148 187.7
[M+Na-2H]- 209.15230 150.5
[M]+ 188.17708 152.1
[M]- 188.17818 152.1
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

patents stripe