CID 102977

3322-32-5

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

C1CC2C(C1C3=CC=C(C=C3)OCC4CO4)O2

InChI

InChI=1S/C14H16O3/c1-3-10(15-7-11-8-16-11)4-2-9(1)12-5-6-13-14(12)17-13/h1-4,11-14H,5-8H2

InChIKey

UMVWSWQLXZQZEP-UHFFFAOYSA-N

Compound name

2-[4-(oxiran-2-ylmethoxy)phenyl]-6-oxabicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 232.10994 Da
Monoisotopic Mass: 1.9
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]+	233.11722	153.8
[M+Na]+	255.09916	162.1
[M-H]-	231.10266	165.1
[M+NH4]+	250.14376	160.9
[M+K]+	271.07310	162.3
[M+H-H2O]+	215.10720	147.9
[M+HCOO]-	277.10814	171.4
[M+CH3COO]-	291.12379	164.7
[M+Na-2H]-	253.08461	157.9
[M]+	232.10939	160.4
[M]-	232.11049	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe