CID 45458

Glycidylphenyl glycidyl ether

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1C(O1)CC2=CC=C(C=C2)OCC3CO3

InChI

InChI=1S/C12H14O3/c1-3-10(13-7-12-8-15-12)4-2-9(1)5-11-6-14-11/h1-4,11-12H,5-8H2

InChIKey

VDLMCLSFECQNIM-UHFFFAOYSA-N

Compound name

2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 206.0943 Da
Monoisotopic Mass: 1.5
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]+	207.101576	151.2
[M+Na]+	229.083518	159.1
[M-H]-	205.087024	162.1
[M+NH4]+	224.128123	156.9
[M+K]+	245.057458	160.5
[M+H-H2O]+	189.091560	143.9
[M+HCOO]-	251.092501	170.9
[M+CH3COO]-	265.108151	196.9
[M+Na-2H]-	227.068966	157.2
[M]+	206.09375142	158.5
[M]-	206.09484858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe