CID 28488

17348-59-3

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: 2632
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]+	117.127396	125.9
[M+Na]+	139.109338	133.1
[M-H]-	115.112844	126.6
[M+NH4]+	134.153943	149.1
[M+K]+	155.083278	134.1
[M+H-H2O]+	99.117380	122.3
[M+HCOO]-	161.118321	147.2
[M+CH3COO]-	175.133971	172.8
[M+Na-2H]-	137.094786	132.0
[M]+	116.11957142	127.9
[M]-	116.12066858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe