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 158.9
[M+Na]+ 275.11886 162.5
[M-H]- 251.12236 163.1
[M+NH4]+ 270.16346 176.2
[M+K]+ 291.09280 159.2
[M+H-H2O]+ 235.12690 151.1
[M+HCOO]- 297.12784 174.2
[M+CH3COO]- 311.14349 192.5
[M+Na-2H]- 273.10431 158.4
[M]+ 252.12909 156.5
[M]- 252.13019 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.