CID 3033581

N-(5-(diethylamino)pentyl)dithiocarbamic acid

Structural Information

Molecular Formula
C10H22N2S2
SMILES
CCN(CC)CCCCCNC(=S)S
InChI
InChI=1S/C10H22N2S2/c1-3-12(4-2)9-7-5-6-8-11-10(13)14/h3-9H2,1-2H3,(H2,11,13,14)
InChIKey
BCBDHCRXSATEBO-UHFFFAOYSA-N
Compound name
5-(diethylamino)pentylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12972 153.6
[M+Na]+ 257.11166 157.3
[M-H]- 233.11516 154.0
[M+NH4]+ 252.15626 171.9
[M+K]+ 273.08560 154.0
[M+H-H2O]+ 217.11970 146.3
[M+HCOO]- 279.12064 165.6
[M+CH3COO]- 293.13629 200.0
[M+Na-2H]- 255.09711 151.8
[M]+ 234.12189 156.9
[M]- 234.12299 156.9
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.