CID 4418415

26826-40-4

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C#C)OC(C)(C)C

InChI

InChI=1S/C8H14O/c1-6-7(2)9-8(3,4)5/h1,7H,2-5H3

InChIKey

FIQFHOBKZSUGLM-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxy]but-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 27
Patents: 126.10446 Da
Monoisotopic Mass: 1.6
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]+	127.111736	128.3
[M+Na]+	149.093678	137.5
[M-H]-	125.097184	128.5
[M+NH4]+	144.138283	148.6
[M+K]+	165.067618	137.0
[M+H-H2O]+	109.101720	118.6
[M+HCOO]-	171.102661	144.1
[M+CH3COO]-	185.118311	183.0
[M+Na-2H]-	147.079126	133.3
[M]+	126.10391142	124.7
[M]-	126.10500858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe