CID 21158

2,2,3-trimethyloxirane

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC1C(O1)(C)C

InChI

InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3

InChIKey

QPBYBLZYMNWGMO-UHFFFAOYSA-N

Compound name

2,2,3-trimethyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1457
Patents: 86.073166 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]+	87.080442	114.8
[M+Na]+	109.06238	126.0
[M-H]-	85.065890	121.3
[M+NH4]+	104.10699	134.9
[M+K]+	125.03632	127.4
[M+H-H2O]+	69.070426	110.8
[M+HCOO]-	131.07137	138.1
[M+CH3COO]-	145.08702	169.2
[M+Na-2H]-	107.04783	124.6
[M]+	86.072617	119.7
[M]-	86.073715	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe