CID 102716

2-tert-butoxytetrahydrofuran

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC(C)(C)OC1CCCO1

InChI

InChI=1S/C8H16O2/c1-8(2,3)10-7-5-4-6-9-7/h7H,4-6H2,1-3H3

InChIKey

YUIHSLYOPKDRCJ-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 144.11504 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]+	145.122316	131.5
[M+Na]+	167.104258	137.7
[M-H]-	143.107764	135.3
[M+NH4]+	162.148863	153.6
[M+K]+	183.078198	139.1
[M+H-H2O]+	127.112300	127.2
[M+HCOO]-	189.113241	152.2
[M+CH3COO]-	203.128891	172.8
[M+Na-2H]-	165.089706	137.8
[M]+	144.11449142	131.8
[M]-	144.11558858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe