CID 522448

2-isopropyl-2-methyloxirane

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC(C)C1(CO1)C

InChI

InChI=1S/C6H12O/c1-5(2)6(3)4-7-6/h5H,4H2,1-3H3

InChIKey

JATXAMXFNMUGBL-UHFFFAOYSA-N

Compound name

2-methyl-2-propan-2-yloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 100.08881 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]+	101.09609	121.5
[M+Na]+	123.07803	134.5
[M+NH4]+	118.12263	132.6
[M+K]+	139.05197	129.3
[M-H]-	99.081534	131.2
[M+Na-2H]-	121.06348	130.9
[M]+	100.08826	127.4
[M]-	100.08936	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe