CID 39749

2-hexen-1-ol, 2-ethyl-

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCC=C(CC)CO

InChI

InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h6,9H,3-5,7H2,1-2H3

InChIKey

JSRFYJBJQPGAAA-UHFFFAOYSA-N

Compound name

2-ethylhex-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 168
Patents: 128.12012 Da
Monoisotopic Mass: 2.4
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]+	129.12740	130.9
[M+Na]+	151.10934	137.1
[M-H]-	127.11284	129.6
[M+NH4]+	146.15394	152.6
[M+K]+	167.08328	135.8
[M+H-H2O]+	111.11738	126.7
[M+HCOO]-	173.11832	152.0
[M+CH3COO]-	187.13397	171.8
[M+Na-2H]-	149.09479	135.2
[M]+	128.11957	131.0
[M]-	128.12067	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe