CID 32207

3-methyloct-1-en-3-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCCC(C)(C=C)O

InChI

InChI=1S/C9H18O/c1-4-6-7-8-9(3,10)5-2/h5,10H,2,4,6-8H2,1,3H3

InChIKey

DRKRLMZMGTWUSQ-UHFFFAOYSA-N

Compound name

3-methyloct-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 347
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.14305	134.3
[M+Na]+	165.12499	144.1
[M+NH4]+	160.16959	141.9
[M+K]+	181.09893	138.4
[M-H]-	141.12849	133.0
[M+Na-2H]-	163.11044	137.5
[M]+	142.13522	135.2
[M]-	142.13632	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe