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]+	203.14305	148.4
[M+Na]+	225.12499	161.1
[M+NH4]+	220.16959	156.6
[M+K]+	241.09893	153.1
[M-H]-	201.12849	150.5
[M+Na-2H]-	223.11044	154.7
[M]+	202.13522	150.8
[M]-	202.13632	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.