CID 91746961

Feniculin

Structural Information

Molecular Formula

C₁₄H₁₈O

SMILES

C/C=C\C1=CC=C(C=C1)OCC=C(C)C

InChI

InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4-

InChIKey

JGELFJUQMIUNOO-PLNGDYQASA-N

Compound name

1-(3-methylbut-2-enoxy)-4-[(Z)-prop-1-enyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 202.13577 Da
Monoisotopic Mass: 4.4
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]+	203.14305	147.4
[M+Na]+	225.12499	154.1
[M-H]-	201.12849	150.7
[M+NH4]+	220.16959	166.9
[M+K]+	241.09893	150.9
[M+H-H2O]+	185.13303	141.4
[M+HCOO]-	247.13397	170.0
[M+CH3COO]-	261.14962	187.4
[M+Na-2H]-	223.11044	151.1
[M]+	202.13522	148.8
[M]-	202.13632	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe