CID 24262114

1017112-70-7

Structural Information

Molecular Formula
C12H18N2S
SMILES
C1CC2=C(C1)SC(=N2)CC3CCNCC3
InChI
InChI=1S/C12H18N2S/c1-2-10-11(3-1)15-12(14-10)8-9-4-6-13-7-5-9/h9,13H,1-8H2
InChIKey
LIPNAGWUIJZPOF-UHFFFAOYSA-N
Compound name
2-(piperidin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12634 150.9
[M+Na]+ 245.10828 157.2
[M-H]- 221.11178 154.0
[M+NH4]+ 240.15288 171.0
[M+K]+ 261.08222 153.3
[M+H-H2O]+ 205.11632 144.3
[M+HCOO]- 267.11726 163.0
[M+CH3COO]- 281.13291 161.9
[M+Na-2H]- 243.09373 149.2
[M]+ 222.11851 146.6
[M]- 222.11961 146.6
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.