CID 16946

2385-93-5

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CCCCSC1=CC=C(C=C1)CC(=O)NO
InChI
InChI=1S/C12H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKey
PWCXFVBAQLRQEN-UHFFFAOYSA-N
Compound name
2-(4-butylsulfanylphenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 154.4
[M+Na]+ 262.08722 164.3
[M+NH4]+ 257.13182 162.0
[M+K]+ 278.06116 156.2
[M-H]- 238.09072 156.1
[M+Na-2H]- 260.07267 159.0
[M]+ 239.09745 156.5
[M]- 239.09855 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.