CID 214604

1-butanone, 4-piperidino-1-(2-thiazolyl)-, hydrobromide

Structural Information

Molecular Formula
C12H18N2OS
SMILES
C1CCN(CC1)CCCC(=O)C2=NC=CS2
InChI
InChI=1S/C12H18N2OS/c15-11(12-13-6-10-16-12)5-4-9-14-7-2-1-3-8-14/h6,10H,1-5,7-9H2
InChIKey
YCEIJHIEHVIPCN-UHFFFAOYSA-N
Compound name
4-piperidin-1-yl-1-(1,3-thiazol-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11398 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.121256 155.1
[M+Na]+ 261.103198 160.0
[M-H]- 237.106704 158.1
[M+NH4]+ 256.147803 171.9
[M+K]+ 277.077138 157.1
[M+H-H2O]+ 221.111240 147.0
[M+HCOO]- 283.112181 168.5
[M+CH3COO]- 297.127831 188.1
[M+Na-2H]- 259.088646 154.2
[M]+ 238.11343142 153.6
[M]- 238.11452858 153.6
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.