CID 11164

Glycidol

Structural Information

Molecular Formula

C₃H₆O₂

SMILES

C1C(O1)CO

InChI

InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2

InChIKey

CTKINSOISVBQLD-UHFFFAOYSA-N

Compound name

oxiran-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 319
References: 92302
Patents: 74.03678 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]+	75.044056	110.3
[M+Na]+	97.025998	120.5
[M-H]-	73.029504	115.0
[M+NH4]+	92.070603	128.0
[M+K]+	112.99994	120.8
[M+H-H2O]+	57.034040	105.2
[M+HCOO]-	119.03498	133.4
[M+CH3COO]-	133.05063	162.0
[M+Na-2H]-	95.011446	120.2
[M]+	74.036231	113.4
[M]-	74.037329	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe