CID 9578468

4-piperidino-1-(3-thienyl)-1-butanone oxime hydrochloride

Structural Information

Molecular Formula
C13H20N2OS
SMILES
C1CCN(CC1)CCC/C(=N/O)/C2=CSC=C2
InChI
InChI=1S/C13H20N2OS/c16-14-13(12-6-10-17-11-12)5-4-9-15-7-2-1-3-8-15/h6,10-11,16H,1-5,7-9H2/b14-13-
InChIKey
BXHCXJJYLZXBKW-YPKPFQOOSA-N
Compound name
(NZ)-N-(4-piperidin-1-yl-1-thiophen-3-ylbutylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12964 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13692 158.8
[M+Na]+ 275.11886 167.3
[M+NH4]+ 270.16346 167.1
[M+K]+ 291.09280 160.6
[M-H]- 251.12236 162.0
[M+Na-2H]- 273.10431 163.8
[M]+ 252.12909 161.1
[M]- 252.13019 161.1
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.