CID 140133

16744-89-1

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(C)(CCC=C)O

InChI

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

InChIKey

RVHXDRXNRJQLGG-UHFFFAOYSA-N

Compound name

2-methylhex-5-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 664
Patents: 114.10446 Da
Monoisotopic Mass: 1.6
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]+	115.11174	125.4
[M+Na]+	137.09368	132.6
[M-H]-	113.09718	124.5
[M+NH4]+	132.13828	147.8
[M+K]+	153.06762	131.5
[M+H-H2O]+	97.101720	122.0
[M+HCOO]-	159.10266	146.3
[M+CH3COO]-	173.11831	168.9
[M+Na-2H]-	135.07913	132.2
[M]+	114.10391	125.4
[M]-	114.10501	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe