CID 108598

1-butoxyhexane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

728
Patents

158.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.17435 140.2
[M+Na]+ 181.15629 145.8
[M-H]- 157.15979 139.8
[M+NH4]+ 176.20089 161.5
[M+K]+ 197.13023 145.1
[M+H-H2O]+ 141.16433 135.1
[M+HCOO]- 203.16527 162.9
[M+CH3COO]- 217.18092 181.5
[M+Na-2H]- 179.14174 145.2
[M]+ 158.16652 144.5
[M]- 158.16762 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