CID 44978

63884-94-6

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CCCCOC1=C(C=C(C=C1)CC(=O)NO)CC

InChI

InChI=1S/C14H21NO3/c1-3-5-8-18-13-7-6-11(9-12(13)4-2)10-14(16)15-17/h6-7,9,17H,3-5,8,10H2,1-2H3,(H,15,16)

InChIKey

LDMNWDMAZKMCSI-UHFFFAOYSA-N

Compound name

2-(4-butoxy-3-ethylphenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 251.15215 Da
Monoisotopic Mass: 2.7
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]+	252.15943	159.8
[M+Na]+	274.14137	169.9
[M+NH4]+	269.18597	166.2
[M+K]+	290.11531	164.0
[M-H]-	250.14487	160.8
[M+Na-2H]-	272.12682	164.0
[M]+	251.15160	161.2
[M]-	251.15270	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe