CID 10285780

Oxiraneethanol, 2-methyl-

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1(CO1)CCO

InChI

InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3

InChIKey

LMMGAGCAEGFLMD-UHFFFAOYSA-N

Compound name

2-(2-methyloxiran-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 102.06808 Da
Monoisotopic Mass: -0.2
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]+	103.07536	120.8
[M+Na]+	125.05730	133.3
[M+NH4]+	120.10190	131.3
[M+K]+	141.03124	128.3
[M-H]-	101.06080	129.8
[M+Na-2H]-	123.04275	129.7
[M]+	102.06753	126.4
[M]-	102.06863	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe