CID 3075189

(2-alpha,5-alpha)-2,5-di(piperidinomethyl)-1-thiacyclopentane-1-oxide

Structural Information

Molecular Formula
C16H30N2OS
SMILES
C1CCN(CC1)CC2CCC(S2=O)CN3CCCCC3
InChI
InChI=1S/C16H30N2OS/c19-20-15(13-17-9-3-1-4-10-17)7-8-16(20)14-18-11-5-2-6-12-18/h15-16H,1-14H2
InChIKey
LLYAHBPUPWRFHA-UHFFFAOYSA-N
Compound name
2,5-bis(piperidin-1-ylmethyl)thiolane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2079 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21518 173.9
[M+Na]+ 321.19712 175.4
[M-H]- 297.20062 178.4
[M+NH4]+ 316.24172 188.0
[M+K]+ 337.17106 171.4
[M+H-H2O]+ 281.20516 164.8
[M+HCOO]- 343.20610 181.3
[M+CH3COO]- 357.22175 181.6
[M+Na-2H]- 319.18257 168.1
[M]+ 298.20735 165.6
[M]- 298.20845 165.6
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.