CID 12465658

36688-49-0

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC(C1(CO1)C)O

InChI

InChI=1S/C5H10O2/c1-4(6)5(2)3-7-5/h4,6H,3H2,1-2H3

InChIKey

GSZYRUXKQZWHKE-UHFFFAOYSA-N

Compound name

1-(2-methyloxiran-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 102.06808 Da
Monoisotopic Mass: -0.1
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	118.9
[M+Na]+	125.05730	128.6
[M-H]-	101.06080	123.7
[M+NH4]+	120.10190	137.4
[M+K]+	141.03124	129.8
[M+H-H2O]+	85.065340	114.9
[M+HCOO]-	147.06628	140.1
[M+CH3COO]-	161.08193	168.2
[M+Na-2H]-	123.04275	127.7
[M]+	102.06753	122.6
[M]-	102.06863	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe