CID 21159

Tetramethyloxirane

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC1(C(O1)(C)C)C

InChI

InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3

InChIKey

SYQIWVMFOAHDMK-UHFFFAOYSA-N

Compound name

2,2,3,3-tetramethyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1261
Patents: 100.08881 Da
Monoisotopic Mass: 1.1
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]+	101.09609	120.5
[M+Na]+	123.07803	134.3
[M+NH4]+	118.12263	133.1
[M+K]+	139.05197	127.1
[M-H]-	99.081534	130.7
[M+Na-2H]-	121.06348	131.6
[M]+	100.08826	126.9
[M]-	100.08936	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe