CID 45789030

1-[1-(1,3-thiazol-2-yl)ethyl]piperazine

Structural Information

Molecular Formula
C9H15N3S
SMILES
CC(C1=NC=CS1)N2CCNCC2
InChI
InChI=1S/C9H15N3S/c1-8(9-11-4-7-13-9)12-5-2-10-3-6-12/h4,7-8,10H,2-3,5-6H2,1H3
InChIKey
SMEYOPZGSIPUGP-UHFFFAOYSA-N
Compound name
2-(1-piperazin-1-ylethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.09866 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 143.2
[M+Na]+ 220.087878 149.1
[M-H]- 196.091384 144.0
[M+NH4]+ 215.132483 159.9
[M+K]+ 236.061818 146.0
[M+H-H2O]+ 180.095920 135.3
[M+HCOO]- 242.096861 154.5
[M+CH3COO]- 256.112511 153.8
[M+Na-2H]- 218.073326 143.3
[M]+ 197.09811142 138.7
[M]- 197.09920858 138.7
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