CID 27383

15560-63-1

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₃

SMILES

CC(C)CCOC1=C(C=C(C=C1)CC(=O)NO)Cl

InChI

InChI=1S/C13H18ClNO3/c1-9(2)5-6-18-12-4-3-10(7-11(12)14)8-13(16)15-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,15,16)

InChIKey

RNFLPYXRXDOZNZ-UHFFFAOYSA-N

Compound name

2-[3-chloro-4-(3-methylbutoxy)phenyl]-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.09753 Da
Monoisotopic Mass: 2.5
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]+	272.104806	160.7
[M+Na]+	294.086748	167.5
[M-H]-	270.090254	162.9
[M+NH4]+	289.131353	177.3
[M+K]+	310.060688	163.7
[M+H-H2O]+	254.094790	155.3
[M+HCOO]-	316.095731	177.9
[M+CH3COO]-	330.111381	198.1
[M+Na-2H]-	292.072196	162.3
[M]+	271.09698142	164.6
[M]-	271.09807858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.