CID 140601

19781-27-2

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCC(CC)CCC(CC)O

InChI

InChI=1S/C10H22O/c1-4-9(5-2)7-8-10(11)6-3/h9-11H,4-8H2,1-3H3

InChIKey

JWZFCOOWAQHCBP-UHFFFAOYSA-N

Compound name

6-ethyloctan-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 32
Patents: 158.16707 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.17435	142.0
[M+Na]+	181.15629	146.7
[M-H]-	157.15979	140.3
[M+NH4]+	176.20089	162.4
[M+K]+	197.13023	145.9
[M+H-H2O]+	141.16433	137.3
[M+HCOO]-	203.16527	161.2
[M+CH3COO]-	217.18092	180.3
[M+Na-2H]-	179.14174	143.8
[M]+	158.16652	143.0
[M]-	158.16762	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe