CID 10398072

Etrogol

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

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

InChI

InChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3

InChIKey

IBVFUNAQXWFZQB-UHFFFAOYSA-N

Compound name

2-[4-(3-methylbut-2-enoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3
Patents: 206.13068 Da
Monoisotopic Mass: 3.0
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]+	207.13796	148.3
[M+Na]+	229.11990	160.2
[M+NH4]+	224.16450	156.1
[M+K]+	245.09384	153.3
[M-H]-	205.12340	149.7
[M+Na-2H]-	227.10535	153.9
[M]+	206.13013	150.3
[M]-	206.13123	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe