CID 3017891

3-(1-methoxy-1-methylethoxy)propyne

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC(C)(OC)OCC#C

InChI

InChI=1S/C7H12O2/c1-5-6-9-7(2,3)8-4/h1H,6H2,2-4H3

InChIKey

ZLWLIRSKIAHRKA-UHFFFAOYSA-N

Compound name

2-methoxy-2-prop-2-ynoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 128.08372 Da
Monoisotopic Mass: 0.8
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]+	129.090996	125.7
[M+Na]+	151.072938	135.4
[M-H]-	127.076444	125.9
[M+NH4]+	146.117543	145.9
[M+K]+	167.046878	135.2
[M+H-H2O]+	111.080980	115.9
[M+HCOO]-	173.081921	142.9
[M+CH3COO]-	187.097571	181.9
[M+Na-2H]-	149.058386	132.4
[M]+	128.08317142	123.8
[M]-	128.08426858	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe