CID 93920

4-ethyloct-1-en-3-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CCCCC(CC)C(C=C)O
InChI
InChI=1S/C10H20O/c1-4-7-8-9(5-2)10(11)6-3/h6,9-11H,3-5,7-8H2,1-2H3
InChIKey
AZFUMZRIDXIUQM-UHFFFAOYSA-N
Compound name
4-ethyloct-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

156.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 140.3
[M+Na]+ 179.140628 145.3
[M-H]- 155.144134 138.7
[M+NH4]+ 174.185233 160.7
[M+K]+ 195.114568 143.9
[M+H-H2O]+ 139.148670 135.7
[M+HCOO]- 201.149611 159.7
[M+CH3COO]- 215.165261 179.4
[M+Na-2H]- 177.126076 142.2
[M]+ 156.15086142 140.6
[M]- 156.15195858 140.6
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