CID 90990

2-(2-methylpropyl)oxirane

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC(C)CC1CO1

InChI

InChI=1S/C6H12O/c1-5(2)3-6-4-7-6/h5-6H,3-4H2,1-2H3

InChIKey

YXIOECOAAMLHPG-UHFFFAOYSA-N

Compound name

2-(2-methylpropyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 773
Patents: 100.08881 Da
Monoisotopic Mass: 1.6
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]+	101.096086	120.1
[M+Na]+	123.078028	129.2
[M-H]-	99.081534	125.7
[M+NH4]+	118.122633	137.5
[M+K]+	139.051968	129.9
[M+H-H2O]+	83.086070	114.5
[M+HCOO]-	145.087011	142.6
[M+CH3COO]-	159.102661	172.2
[M+Na-2H]-	121.063476	127.8
[M]+	100.08826142	124.0
[M]-	100.08935858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe