CID 102618

1,2-epoxy-3-methylbutane

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC(C)C1CO1

InChI

InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3

InChIKey

REYZXWIIUPKFTI-UHFFFAOYSA-N

Compound name

2-propan-2-yloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1619
Patents: 86.073166 Da
Monoisotopic Mass: 1.2
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]+	87.080442	115.7
[M+Na]+	109.06238	125.2
[M-H]-	85.065890	121.5
[M+NH4]+	104.10699	133.6
[M+K]+	125.03632	126.1
[M+H-H2O]+	69.070426	110.2
[M+HCOO]-	131.07137	138.5
[M+CH3COO]-	145.08702	169.3
[M+Na-2H]-	107.04783	123.9
[M]+	86.072617	119.2
[M]-	86.073715	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe