CID 28488

Tert-butyl isopropyl ether

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

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

InChI

InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3

InChIKey

HNFSPSWQNZVCTB-UHFFFAOYSA-N

Compound name

2-methyl-2-propan-2-yloxypropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1931
Patents: 116.12012 Da
Monoisotopic Mass: 1.9
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]+	117.12740	126.1
[M+Na]+	139.10934	136.4
[M+NH4]+	134.15394	134.5
[M+K]+	155.08328	131.8
[M-H]-	115.11284	125.4
[M+Na-2H]-	137.09479	130.1
[M]+	116.11957	127.3
[M]-	116.12067	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe