CID 120303

1-ethoxy-3-methylbutane

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

CCOCCC(C)C

InChI

InChI=1S/C7H16O/c1-4-8-6-5-7(2)3/h7H,4-6H2,1-3H3

InChIKey

HQUVLOKKTRUQNI-UHFFFAOYSA-N

Compound name

1-ethoxy-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1680
Patents: 116.12012 Da
Monoisotopic Mass: 2.1
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	126.7
[M+Na]+	139.109338	133.3
[M-H]-	115.112844	127.0
[M+NH4]+	134.153943	149.6
[M+K]+	155.083278	133.9
[M+H-H2O]+	99.117380	122.3
[M+HCOO]-	161.118321	149.5
[M+CH3COO]-	175.133971	173.2
[M+Na-2H]-	137.094786	132.1
[M]+	116.11957142	129.2
[M]-	116.12066858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe