CID 3075183

Cis-2,5-di(piperidinomethyl)-1-thiacyclopentane

Structural Information

Molecular Formula
C16H30N2S
SMILES
C1CCN(CC1)C[C@H]2CC[C@H](S2)CN3CCCCC3
InChI
InChI=1S/C16H30N2S/c1-3-9-17(10-4-1)13-15-7-8-16(19-15)14-18-11-5-2-6-12-18/h15-16H,1-14H2/t15-,16+
InChIKey
MHRFXGZRITXVEY-IYBDPMFKSA-N
Compound name
1-[[(2S,5R)-5-(piperidin-1-ylmethyl)thiolan-2-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.21298 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22026 169.9
[M+Na]+ 305.20220 178.5
[M+NH4]+ 300.24680 179.4
[M+K]+ 321.17614 170.4
[M-H]- 281.20570 174.9
[M+Na-2H]- 303.18765 174.4
[M]+ 282.21243 172.8
[M]- 282.21353 172.8
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.