CID 3040239

4-propylheptan-3-ol

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCC(CCC)C(CC)O

InChI

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

InChIKey

FQWBTHWBVNKOLD-UHFFFAOYSA-N

Compound name

4-propylheptan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	140.0
[M+Na]+	181.15629	149.1
[M+NH4]+	176.20089	147.6
[M+K]+	197.13023	143.6
[M-H]-	157.15979	139.1
[M+Na-2H]-	179.14174	142.3
[M]+	158.16652	140.8
[M]-	158.16762	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe