CID 11041647

3-[4-(propan-2-yloxy)phenyl]propan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(C)OC1=CC=C(C=C1)CCCO

InChI

InChI=1S/C12H18O2/c1-10(2)14-12-7-5-11(6-8-12)4-3-9-13/h5-8,10,13H,3-4,9H2,1-2H3

InChIKey

OINFBDTYTOUBIM-UHFFFAOYSA-N

Compound name

3-(4-propan-2-yloxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 194.13068 Da
Monoisotopic Mass: 2.6
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]+	195.13796	144.4
[M+Na]+	217.11990	156.4
[M+NH4]+	212.16450	152.6
[M+K]+	233.09384	149.9
[M-H]-	193.12340	146.1
[M+Na-2H]-	215.10535	150.4
[M]+	194.13013	146.5
[M]-	194.13123	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe