CID 10989

Diisopentyl ether

Structural Information

Molecular Formula
C10H22O
SMILES
CC(C)CCOCCC(C)C
InChI
InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
AQZGPSLYZOOYQP-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-methylbutoxy)butane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

24888
Patents

158.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.17435 141.1
[M+Na]+ 181.15629 146.3
[M-H]- 157.15979 140.9
[M+NH4]+ 176.20089 162.3
[M+K]+ 197.13023 146.5
[M+H-H2O]+ 141.16433 136.2
[M+HCOO]- 203.16527 161.9
[M+CH3COO]- 217.18092 183.1
[M+Na-2H]- 179.14174 143.6
[M]+ 158.16652 144.1
[M]- 158.16762 144.1
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