CID 44980

63884-96-8

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 158.2
[M+Na]+ 276.10287 163.5
[M-H]- 252.10637 159.9
[M+NH4]+ 271.14747 174.8
[M+K]+ 292.07681 159.3
[M+H-H2O]+ 236.11091 151.4
[M+HCOO]- 298.11185 175.1
[M+CH3COO]- 312.12750 193.9
[M+Na-2H]- 274.08832 159.2
[M]+ 253.11310 160.8
[M]- 253.11420 160.8
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