CID 11138706

133332-49-7

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

COC1=C(C=C(C=C1)CO)OC2CCCC2

InChI

InChI=1S/C13H18O3/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3

InChIKey

JIRHAGAOHOYLNO-UHFFFAOYSA-N

Compound name

(3-cyclopentyloxy-4-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11114
Patents: 222.1256 Da
Monoisotopic Mass: 1.9
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]+	223.132876	149.7
[M+Na]+	245.114818	155.9
[M-H]-	221.118324	154.9
[M+NH4]+	240.159423	169.1
[M+K]+	261.088758	153.5
[M+H-H2O]+	205.122860	143.4
[M+HCOO]-	267.123801	171.5
[M+CH3COO]-	281.139451	185.4
[M+Na-2H]-	243.100266	152.1
[M]+	222.12505142	149.6
[M]-	222.12614858	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe