CID 44980

(p-pentylthio)phenylacetohydroxamic acid

Structural Information

Molecular Formula

C₁₃H₁₉NO₂S

SMILES

CCCCCSC1=CC=C(C=C1)CC(=O)NO

InChI

InChI=1S/C13H19NO2S/c1-2-3-4-9-17-12-7-5-11(6-8-12)10-13(15)14-16/h5-8,16H,2-4,9-10H2,1H3,(H,14,15)

InChIKey

HOTDMJSWRGBPDM-UHFFFAOYSA-N

Compound name

N-hydroxy-2-(4-pentylsulfanylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.11365 Da
Monoisotopic Mass: 2.9
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]+	254.120926	158.2
[M+Na]+	276.102868	163.5
[M-H]-	252.106374	159.9
[M+NH4]+	271.147473	174.8
[M+K]+	292.076808	159.3
[M+H-H2O]+	236.110910	151.4
[M+HCOO]-	298.111851	175.1
[M+CH3COO]-	312.127501	193.9
[M+Na-2H]-	274.088316	159.2
[M]+	253.11310142	160.8
[M]-	253.11419858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe