CID 12743

Dipentyl ether

Structural Information

Molecular Formula
C10H22O
SMILES
CCCCCOCCCCC
InChI
InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
AOPDRZXCEAKHHW-UHFFFAOYSA-N
Compound name
1-pentoxypentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

52303
Patents

158.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.174346 140.2
[M+Na]+ 181.156288 145.8
[M-H]- 157.159794 139.8
[M+NH4]+ 176.200893 161.5
[M+K]+ 197.130228 145.1
[M+H-H2O]+ 141.164330 135.1
[M+HCOO]- 203.165271 162.9
[M+CH3COO]- 217.180921 181.5
[M+Na-2H]- 179.141736 145.2
[M]+ 158.16652142 144.5
[M]- 158.16761858 144.5
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