CID 15413

Tert-butyl methyl ether

Structural Information

Molecular Formula

C₅H₁₂O

SMILES

CC(C)(C)OC

InChI

InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3

InChIKey

BZLVMXJERCGZMT-UHFFFAOYSA-N

Compound name

2-methoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1501
References: 62389
Patents: 88.08881 Da
Monoisotopic Mass: 0.9
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]+	89.096086	116.7
[M+Na]+	111.07803	124.9
[M-H]-	87.081534	117.6
[M+NH4]+	106.12263	141.0
[M+K]+	127.05197	126.0
[M+H-H2O]+	71.086070	113.4
[M+HCOO]-	133.08701	139.6
[M+CH3COO]-	147.10266	165.9
[M+Na-2H]-	109.06348	125.1
[M]+	88.088261	118.6
[M]-	88.089359	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe