CID 3047651

1,1'-(dithiobis(1-methylethylene))dipiperidine dihydrochloride

Structural Information

Molecular Formula
C16H32N2S2
SMILES
CC(CSSCC(C)N1CCCCC1)N2CCCCC2
InChI
InChI=1S/C16H32N2S2/c1-15(17-9-5-3-6-10-17)13-19-20-14-16(2)18-11-7-4-8-12-18/h15-16H,3-14H2,1-2H3
InChIKey
NKNLVKAGJAMNPJ-UHFFFAOYSA-N
Compound name
1-[1-(2-piperidin-1-ylpropyldisulfanyl)propan-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20796 172.7
[M+Na]+ 339.18990 172.3
[M-H]- 315.19340 173.1
[M+NH4]+ 334.23450 184.4
[M+K]+ 355.16384 168.1
[M+H-H2O]+ 299.19794 164.1
[M+HCOO]- 361.19888 172.9
[M+CH3COO]- 375.21453 205.2
[M+Na-2H]- 337.17535 167.4
[M]+ 316.20013 167.2
[M]- 316.20123 167.2
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.