CID 85845705

Dictagymnin

Structural Information

Molecular Formula

C₁₄H₁₈O

SMILES

CC(=CCOC1=CC=C(C=C1)CC=C)C

InChI

InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4,6-10H,1,5,11H2,2-3H3

InChIKey

UCSGFTQHJDOIND-UHFFFAOYSA-N

Compound name

1-(3-methylbut-2-enoxy)-4-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.13577 Da
Monoisotopic Mass: 4.5
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]+	203.143046	147.2
[M+Na]+	225.124988	153.8
[M-H]-	201.128494	150.4
[M+NH4]+	220.169593	166.6
[M+K]+	241.098928	150.5
[M+H-H2O]+	185.133030	141.1
[M+HCOO]-	247.133971	169.8
[M+CH3COO]-	261.149621	188.0
[M+Na-2H]-	223.110436	150.9
[M]+	202.13522142	148.7
[M]-	202.13631858	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.