CID 3069914

85467-24-9

Structural Information

Molecular Formula

C₁₇H₂₅NO₄

SMILES

CCOC(=O)[C@@]1(C[C@@H]1CN(CCO)CCO)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO4/c1-2-22-16(21)17(14-6-4-3-5-7-14)12-15(17)13-18(8-10-19)9-11-20/h3-7,15,19-20H,2,8-13H2,1H3/t15-,17+/m1/s1

InChIKey

BMGOIBOIPWPBEJ-WBVHZDCISA-N

Compound name

cis-ethyl (1R,2S)-2-[[bis(2-hydroxyethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.17834 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]+	308.185616	170.1
[M+Na]+	330.167558	176.0
[M-H]-	306.171064	175.7
[M+NH4]+	325.212163	181.2
[M+K]+	346.141498	173.5
[M+H-H2O]+	290.175600	163.8
[M+HCOO]-	352.176541	190.9
[M+CH3COO]-	366.192191	207.5
[M+Na-2H]-	328.153006	173.0
[M]+	307.17779142	176.1
[M]-	307.17888858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.