CID 57121907

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

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC#CC1=CC=C(C=C1)CO

InChI

InChI=1S/C10H10O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7,11H,8H2,1H3

InChIKey

NWFNSGJGQYFTFA-UHFFFAOYSA-N

Compound name

(4-prop-1-ynylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 146.07317 Da
Monoisotopic Mass: 2.0
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]+	147.08045	131.7
[M+Na]+	169.06239	142.2
[M-H]-	145.06589	133.0
[M+NH4]+	164.10699	150.5
[M+K]+	185.03633	137.7
[M+H-H2O]+	129.07043	120.8
[M+HCOO]-	191.07137	149.2
[M+CH3COO]-	205.08702	181.6
[M+Na-2H]-	167.04784	137.3
[M]+	146.07262	126.0
[M]-	146.07372	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe