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: 24
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]+	127.11174	126.5
[M+Na]+	149.09368	136.7
[M+NH4]+	144.13828	131.1
[M+K]+	165.06762	129.2
[M-H]-	125.09718	118.0
[M+Na-2H]-	147.07913	127.9
[M]+	126.10391	124.7
[M]-	126.10501	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe