CID 167724

(3,3-dimethyloxiranyl)methanol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1(C(O1)CO)C

InChI

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

InChIKey

HJXAWVLTVYGIBH-UHFFFAOYSA-N

Compound name

(3,3-dimethyloxiran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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	119.9
[M+Na]+	125.05730	132.8
[M+NH4]+	120.10190	130.4
[M+K]+	141.03124	128.0
[M-H]-	101.06080	128.9
[M+Na-2H]-	123.04275	128.7
[M]+	102.06753	125.5
[M]-	102.06863	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe