CID 6366131

[(e)-hex-3-enoxy]methylbenzene

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

CC/C=C/CCOCC1=CC=CC=C1

InChI

InChI=1S/C13H18O/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3+

InChIKey

PCHRJGRKKJOULQ-ONEGZZNKSA-N

Compound name

[(E)-hex-3-enoxy]methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 190.13577 Da
Monoisotopic Mass: 3.3
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]+	191.14305	145.0
[M+Na]+	213.12499	157.9
[M+NH4]+	208.16959	153.9
[M+K]+	229.09893	149.2
[M-H]-	189.12849	147.6
[M+Na-2H]-	211.11044	152.3
[M]+	190.13522	147.6
[M]-	190.13632	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe