CID 250081

[4-(propan-2-yloxy)phenyl]methanol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(C)OC1=CC=C(C=C1)CO

InChI

InChI=1S/C10H14O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3

InChIKey

ZNJLQCPPAZECMW-UHFFFAOYSA-N

Compound name

(4-propan-2-yloxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 166.09938 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]+	167.106656	135.3
[M+Na]+	189.088598	142.5
[M-H]-	165.092104	137.8
[M+NH4]+	184.133203	155.5
[M+K]+	205.062538	141.1
[M+H-H2O]+	149.096640	129.9
[M+HCOO]-	211.097581	157.6
[M+CH3COO]-	225.113231	177.7
[M+Na-2H]-	187.074046	140.6
[M]+	166.09883142	136.4
[M]-	166.09992858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe