CID 19860086

Unii-ix7uxc994b

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

COC1=C(C=CC(=C1)C2CC(=C)CCO2)O

InChI

InChI=1S/C13H16O3/c1-9-5-6-16-12(7-9)10-3-4-11(14)13(8-10)15-2/h3-4,8,12,14H,1,5-7H2,2H3

InChIKey

FCOURWMCEWGKGO-UHFFFAOYSA-N

Compound name

2-methoxy-4-(4-methylideneoxan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 59
Patents: 220.10994 Da
Monoisotopic Mass: 2.0
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]+	221.11722	148.1
[M+Na]+	243.09916	154.8
[M-H]-	219.10266	154.1
[M+NH4]+	238.14376	164.7
[M+K]+	259.07310	153.0
[M+H-H2O]+	203.10720	141.6
[M+HCOO]-	265.10814	167.0
[M+CH3COO]-	279.12379	186.3
[M+Na-2H]-	241.08461	152.2
[M]+	220.10939	146.2
[M]-	220.11049	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe