CID 107599

Furan, 2-(3-hexenyl)-5-methyl-

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCC=CCCC1=CC=C(O1)C

InChI

InChI=1S/C11H16O/c1-3-4-5-6-7-11-9-8-10(2)12-11/h4-5,8-9H,3,6-7H2,1-2H3

InChIKey

YCLNYBGZRIUBQT-UHFFFAOYSA-N

Compound name

2-hex-3-enyl-5-methylfuran

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 11
Patents: 164.12012 Da
Monoisotopic Mass: 3.5
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]+	165.127396	137.1
[M+Na]+	187.109338	145.1
[M-H]-	163.112844	141.3
[M+NH4]+	182.153943	158.8
[M+K]+	203.083278	143.8
[M+H-H2O]+	147.117380	132.1
[M+HCOO]-	209.118321	161.3
[M+CH3COO]-	223.133971	179.1
[M+Na-2H]-	185.094786	142.4
[M]+	164.11957142	140.1
[M]-	164.12066858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe