CID 3038140

1-piperidinecarbamic acid, dithio-, monosodium salt

Structural Information

Molecular Formula
C6H12N2S2
SMILES
C1CCN(CC1)NC(=S)S
InChI
InChI=1S/C6H12N2S2/c9-6(10)7-8-4-2-1-3-5-8/h1-5H2,(H2,7,9,10)
InChIKey
APGXDGZXGZROMN-UHFFFAOYSA-N
Compound name
piperidin-1-ylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

176.04419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05147 133.8
[M+Na]+ 199.03341 138.9
[M-H]- 175.03691 134.9
[M+NH4]+ 194.07801 152.7
[M+K]+ 215.00735 135.6
[M+H-H2O]+ 159.04145 127.6
[M+HCOO]- 221.04239 142.7
[M+CH3COO]- 235.05804 178.9
[M+Na-2H]- 197.01886 134.3
[M]+ 176.04364 129.7
[M]- 176.04474 129.7
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.