CID 22662188

1,1'-oxybis(3,3-dimethylbutane)

Structural Information

Molecular Formula
C12H26O
SMILES
CC(C)(C)CCOCCC(C)(C)C
InChI
InChI=1S/C12H26O/c1-11(2,3)7-9-13-10-8-12(4,5)6/h7-10H2,1-6H3
InChIKey
AYMZQSQRCFSZCR-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

395
Patents

186.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.205636 148.8
[M+Na]+ 209.187578 154.7
[M-H]- 185.191084 148.9
[M+NH4]+ 204.232183 169.5
[M+K]+ 225.161518 154.4
[M+H-H2O]+ 169.195620 144.8
[M+HCOO]- 231.196561 167.9
[M+CH3COO]- 245.212211 186.9
[M+Na-2H]- 207.173026 154.3
[M]+ 186.19781142 152.8
[M]- 186.19890858 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe