CID 3077848

Brn 5347239

Structural Information

Molecular Formula

C₁₅H₂₀ClNO₄

SMILES

CC1(OCCO1)C(CCO)C(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClNO4/c1-15(20-8-9-21-15)13(6-7-18)14(19)17-10-11-2-4-12(16)5-3-11/h2-5,13,18H,6-10H2,1H3,(H,17,19)

InChIKey

MXWDNAYECKOVLI-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.1081 Da
Monoisotopic Mass: 1.1
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]+	314.115376	173.4
[M+Na]+	336.097318	178.3
[M-H]-	312.100824	179.3
[M+NH4]+	331.141923	188.5
[M+K]+	352.071258	176.6
[M+H-H2O]+	296.105360	168.0
[M+HCOO]-	358.106301	187.3
[M+CH3COO]-	372.121951	201.2
[M+Na-2H]-	334.082766	175.8
[M]+	313.10755142	175.9
[M]-	313.10864858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.