CID 12512

Tert-butyl ethyl ether

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCOC(C)(C)C

InChI

InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3

InChIKey

NUMQCACRALPSHD-UHFFFAOYSA-N

Compound name

2-ethoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 122
References: 22259
Patents: 102.10446 Da
Monoisotopic Mass: 1.4
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]+	103.11174	121.4
[M+Na]+	125.09368	129.3
[M-H]-	101.09718	122.2
[M+NH4]+	120.13828	145.2
[M+K]+	141.06762	130.1
[M+H-H2O]+	85.101720	118.0
[M+HCOO]-	147.10266	144.0
[M+CH3COO]-	161.11831	168.9
[M+Na-2H]-	123.07913	129.3
[M]+	102.10391	123.7
[M]-	102.10501	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe