CID 57624364

2-(pent-4-yn-1-yloxy)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C#CCCCOCCO

InChI

InChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h1,8H,3-7H2

InChIKey

MHQBOGJUCOVNST-UHFFFAOYSA-N

Compound name

2-pent-4-ynoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 128.08372 Da
Monoisotopic Mass: 0.3
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]+	129.090996	124.1
[M+Na]+	151.072938	133.1
[M-H]-	127.076444	122.6
[M+NH4]+	146.117543	143.5
[M+K]+	167.046878	131.5
[M+H-H2O]+	111.080980	113.9
[M+HCOO]-	173.081921	141.4
[M+CH3COO]-	187.097571	179.2
[M+Na-2H]-	149.058386	129.9
[M]+	128.08317142	120.9
[M]-	128.08426858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe