CID 115712

Resorcindiglycidylether [czech]

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

C1C(O1)CC2=CC(=CC=C2)CC3CO3

InChI

InChI=1S/C12H14O2/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12/h1-4,11-12H,5-8H2

InChIKey

AGXAFZNONAXBOS-UHFFFAOYSA-N

Compound name

2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2978
Patents: 190.09938 Da
Monoisotopic Mass: 1.8
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]+	191.106656	147.3
[M+Na]+	213.088598	155.3
[M-H]-	189.092104	158.3
[M+NH4]+	208.133203	153.6
[M+K]+	229.062538	156.6
[M+H-H2O]+	173.096640	140.2
[M+HCOO]-	235.097581	167.0
[M+CH3COO]-	249.113231	158.6
[M+Na-2H]-	211.074046	153.5
[M]+	190.09883142	153.4
[M]-	190.09992858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe