CID 8909

Butyl ether

Structural Information

Molecular Formula
C8H18O
SMILES
CCCCOCCCC
InChI
InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey
DURPTKYDGMDSBL-UHFFFAOYSA-N
Compound name
1-butoxybutane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

174
References

38193
Patents

130.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.143046 130.9
[M+Na]+ 153.124988 137.3
[M-H]- 129.128494 130.9
[M+NH4]+ 148.169593 153.3
[M+K]+ 169.098928 137.2
[M+H-H2O]+ 113.133030 126.3
[M+HCOO]- 175.133971 154.3
[M+CH3COO]- 189.149621 175.4
[M+Na-2H]- 151.110436 137.1
[M]+ 130.13522142 134.5
[M]- 130.13631858 134.5
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