CID 107163

3712-92-3

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

C1C2CC(C1C3C2CC4C3O4)OCC5CO5

InChI

InChI=1S/C13H18O3/c1-6-2-10(15-5-7-4-14-7)9(1)12-8(6)3-11-13(12)16-11/h6-13H,1-5H2

InChIKey

NJBGVARMYOOVSX-UHFFFAOYSA-N

Compound name

10-(oxiran-2-ylmethoxy)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 425
Patents: 222.1256 Da
Monoisotopic Mass: 1.0
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]+	223.132876	150.7
[M+Na]+	245.114818	159.5
[M-H]-	221.118324	159.0
[M+NH4]+	240.159423	163.0
[M+K]+	261.088758	157.3
[M+H-H2O]+	205.122860	148.2
[M+HCOO]-	267.123801	163.0
[M+CH3COO]-	281.139451	161.3
[M+Na-2H]-	243.100266	152.0
[M]+	222.12505142	157.5
[M]-	222.12614858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe