CID 24261809

1017250-61-1

Structural Information

Molecular Formula
C11H16N2S
SMILES
C1CC(CNC1)C2=NC3=C(S2)CCC3
InChI
InChI=1S/C11H16N2S/c1-4-9-10(5-1)14-11(13-9)8-3-2-6-12-7-8/h8,12H,1-7H2
InChIKey
XYWFGZKQFBKBMH-UHFFFAOYSA-N
Compound name
2-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10342 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11070 146.6
[M+Na]+ 231.09264 153.4
[M-H]- 207.09614 149.9
[M+NH4]+ 226.13724 167.3
[M+K]+ 247.06658 149.7
[M+H-H2O]+ 191.10068 140.2
[M+HCOO]- 253.10162 159.0
[M+CH3COO]- 267.11727 158.0
[M+Na-2H]- 229.07809 145.4
[M]+ 208.10287 142.0
[M]- 208.10397 142.0
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.