CID 11791542

63659-17-6

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

C1CC1COCCC2=CC=C(C=C2)OCC3CO3

InChI

InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2

InChIKey

DQRZXLUCRJNWKV-UHFFFAOYSA-N

Compound name

2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 248.14125 Da
Monoisotopic Mass: 2.4
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]+	249.14853	161.6
[M+Na]+	271.13047	168.2
[M-H]-	247.13397	171.4
[M+NH4]+	266.17507	166.9
[M+K]+	287.10441	167.9
[M+H-H2O]+	231.13851	154.3
[M+HCOO]-	293.13945	181.6
[M+CH3COO]-	307.15510	204.1
[M+Na-2H]-	269.11592	165.5
[M]+	248.14070	169.2
[M]-	248.14180	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe