CID 27377

15560-07-3

Structural Information

Molecular Formula

C₁₃H₁₉NO₂S

SMILES

CCCCSC1=C(C=C(C=C1)CC(=O)NO)C

InChI

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

InChIKey

SWZKVMOOTCVDGL-UHFFFAOYSA-N

Compound name

2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.11365 Da
Monoisotopic Mass: 2.8
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	157.9
[M+Na]+	276.102868	164.0
[M-H]-	252.106374	160.0
[M+NH4]+	271.147473	174.8
[M+K]+	292.076808	159.9
[M+H-H2O]+	236.110910	151.4
[M+HCOO]-	298.111851	174.8
[M+CH3COO]-	312.127501	195.1
[M+Na-2H]-	274.088316	158.2
[M]+	253.11310142	160.9
[M]-	253.11419858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe