CID 5851311

5159-44-4

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1=CC=C(O1)CC/C=C/C=C

InChI

InChI=1S/C11H14O/c1-3-4-5-6-7-11-9-8-10(2)12-11/h3-5,8-9H,1,6-7H2,2H3/b5-4+

InChIKey

UXETZHCGPACBOS-SNAWJCMRSA-N

Compound name

2-[(3E)-hexa-3,5-dienyl]-5-methylfuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.10446 Da
Monoisotopic Mass: 3.4
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]+	163.111736	135.7
[M+Na]+	185.093678	144.0
[M-H]-	161.097184	139.9
[M+NH4]+	180.138283	157.4
[M+K]+	201.067618	142.1
[M+H-H2O]+	145.101720	130.8
[M+HCOO]-	207.102661	160.1
[M+CH3COO]-	221.118311	178.2
[M+Na-2H]-	183.079126	141.0
[M]+	162.10391142	138.1
[M]-	162.10500858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe