CID 5314815

5-methyl-1-hexen-3-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(C)CC(C=C)O

InChI

InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h4,6-8H,1,5H2,2-3H3

InChIKey

AZAKXXGZWJWZLN-UHFFFAOYSA-N

Compound name

5-methylhex-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 114.10446 Da
Monoisotopic Mass: 1.9
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]+	115.11174	126.0
[M+Na]+	137.09368	135.8
[M+NH4]+	132.13828	133.9
[M+K]+	153.06762	130.9
[M-H]-	113.09718	125.0
[M+Na-2H]-	135.07913	129.0
[M]+	114.10391	126.8
[M]-	114.10501	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe