CID 11332545

[4-(prop-2-yn-1-yl)phenyl]methanol

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C#CCC1=CC=C(C=C1)CO

InChI

InChI=1S/C10H10O/c1-2-3-9-4-6-10(8-11)7-5-9/h1,4-7,11H,3,8H2

InChIKey

KMFBMUWZGGIREA-UHFFFAOYSA-N

Compound name

(4-prop-2-ynylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 146.07317 Da
Monoisotopic Mass: 1.8
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]+	147.080446	131.4
[M+Na]+	169.062388	141.8
[M-H]-	145.065894	132.6
[M+NH4]+	164.106993	150.1
[M+K]+	185.036328	137.2
[M+H-H2O]+	129.070430	120.5
[M+HCOO]-	191.071371	148.8
[M+CH3COO]-	205.087021	182.2
[M+Na-2H]-	167.047836	137.0
[M]+	146.07262142	125.7
[M]-	146.07371858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe