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
3
Annotation Hits

0
References

6
Patents

188.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.184906 147.8
[M+Na]+ 211.166848 153.2
[M-H]- 187.170354 147.8
[M+NH4]+ 206.211453 168.0
[M+K]+ 227.140788 153.9
[M+H-H2O]+ 171.174890 143.3
[M+HCOO]- 233.175831 167.0
[M+CH3COO]- 247.191481 187.7
[M+Na-2H]- 209.152296 150.5
[M]+ 188.17708142 152.1
[M]- 188.17817858 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