CID 169409

32199-93-2

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC(C)(C#C)OCCO

InChI

InChI=1S/C7H12O2/c1-4-7(2,3)9-6-5-8/h1,8H,5-6H2,2-3H3

InChIKey

ITDLQTDXCICMSK-UHFFFAOYSA-N

Compound name

2-(2-methylbut-3-yn-2-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 128.08372 Da
Monoisotopic Mass: 0.1
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	127.6
[M+Na]+	151.072938	136.9
[M-H]-	127.076444	126.5
[M+NH4]+	146.117543	147.1
[M+K]+	167.046878	135.9
[M+H-H2O]+	111.080980	118.0
[M+HCOO]-	173.081921	143.4
[M+CH3COO]-	187.097571	179.5
[M+Na-2H]-	149.058386	133.7
[M]+	128.08317142	123.9
[M]-	128.08426858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe