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

0
Patents

253.11365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 157.9
[M+Na]+ 276.10287 164.0
[M-H]- 252.10637 160.0
[M+NH4]+ 271.14747 174.8
[M+K]+ 292.07681 159.9
[M+H-H2O]+ 236.11091 151.4
[M+HCOO]- 298.11185 174.8
[M+CH3COO]- 312.12750 195.1
[M+Na-2H]- 274.08832 158.2
[M]+ 253.11310 160.9
[M]- 253.11420 160.9
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

patents stripe