CID 104416

3-propoxyprop-1-yne

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCCOCC#C

InChI

InChI=1S/C6H10O/c1-3-5-7-6-4-2/h1H,4-6H2,2H3

InChIKey

XEKBFEGUEXOLCV-UHFFFAOYSA-N

Compound name

1-prop-2-ynoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 98.073166 Da
Monoisotopic Mass: 1.1
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]+	99.080442	116.0
[M+Na]+	121.06238	125.8
[M-H]-	97.065890	116.1
[M+NH4]+	116.10699	137.2
[M+K]+	137.03632	124.9
[M+H-H2O]+	81.070426	106.1
[M+HCOO]-	143.07137	134.7
[M+CH3COO]-	157.08702	177.3
[M+Na-2H]-	119.04783	123.0
[M]+	98.072617	113.0
[M]-	98.073715	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe