CID 3062773

98880-95-6

Structural Information

Molecular Formula
C9H16N2OS2
SMILES
CC(=O)CSC(=S)N1CCCCC1N
InChI
InChI=1S/C9H16N2OS2/c1-7(12)6-14-9(13)11-5-3-2-4-8(11)10/h8H,2-6,10H2,1H3
InChIKey
CECKWPZTJFGULK-UHFFFAOYSA-N
Compound name
2-oxopropyl 2-aminopiperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0704 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07768 149.8
[M+Na]+ 255.05962 154.2
[M-H]- 231.06312 150.1
[M+NH4]+ 250.10422 166.2
[M+K]+ 271.03356 150.0
[M+H-H2O]+ 215.06766 143.3
[M+HCOO]- 277.06860 156.3
[M+CH3COO]- 291.08425 189.6
[M+Na-2H]- 253.04507 146.5
[M]+ 232.06985 146.2
[M]- 232.07095 146.2
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.