CID 142714

5-methyl-5-hexen-2-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(CCC(=C)C)O

InChI

InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h7-8H,1,4-5H2,2-3H3

InChIKey

RIEDLCPIEKXTTL-UHFFFAOYSA-N

Compound name

5-methylhex-5-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 114.10446 Da
Monoisotopic Mass: 2.1
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]+	115.111736	126.2
[M+Na]+	137.093678	132.5
[M-H]-	113.097184	125.2
[M+NH4]+	132.138283	148.3
[M+K]+	153.067618	131.9
[M+H-H2O]+	97.101720	122.2
[M+HCOO]-	159.102661	146.7
[M+CH3COO]-	173.118311	170.3
[M+Na-2H]-	135.079126	129.8
[M]+	114.10391142	125.4
[M]-	114.10500858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe