CID 3058303

2-(butan-2-yl)-6-cyclopropylphenol

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

CCC(C)C1=CC=CC(=C1O)C2CC2

InChI

InChI=1S/C13H18O/c1-3-9(2)11-5-4-6-12(13(11)14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3

InChIKey

AHDFGPJVGBBWNZ-UHFFFAOYSA-N

Compound name

2-butan-2-yl-6-cyclopropylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 190.13577 Da
Monoisotopic Mass: 3.6
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]+	191.143046	139.3
[M+Na]+	213.124988	148.1
[M-H]-	189.128494	145.8
[M+NH4]+	208.169593	154.0
[M+K]+	229.098928	144.6
[M+H-H2O]+	173.133030	133.1
[M+HCOO]-	235.133971	161.0
[M+CH3COO]-	249.149621	187.6
[M+Na-2H]-	211.110436	143.3
[M]+	190.13522142	141.6
[M]-	190.13631858	141.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.