CID 12346

Diisobutyl ether

Structural Information

Molecular Formula
C8H18O
SMILES
CC(C)COCC(C)C
InChI
InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
SZNYYWIUQFZLLT-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-methylpropoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

26365
Patents

130.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.14305 131.6
[M+Na]+ 153.12499 137.6
[M-H]- 129.12849 131.8
[M+NH4]+ 148.16959 153.9
[M+K]+ 169.09893 138.4
[M+H-H2O]+ 113.13303 127.1
[M+HCOO]- 175.13397 153.1
[M+CH3COO]- 189.14962 177.0
[M+Na-2H]- 151.11044 135.2
[M]+ 130.13522 133.9
[M]- 130.13632 133.9
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