CID 3032697

19022-72-1

Structural Information

Molecular Formula
C8H18N2S2
SMILES
CCN(CC)CCCNC(=S)S
InChI
InChI=1S/C8H18N2S2/c1-3-10(4-2)7-5-6-9-8(11)12/h3-7H2,1-2H3,(H2,9,11,12)
InChIKey
JKTKUIWAWFVTIQ-UHFFFAOYSA-N
Compound name
3-(diethylamino)propylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.09114 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.098416 145.2
[M+Na]+ 229.080358 149.7
[M-H]- 205.083864 146.0
[M+NH4]+ 224.124963 164.6
[M+K]+ 245.054298 147.0
[M+H-H2O]+ 189.088400 138.4
[M+HCOO]- 251.089341 157.8
[M+CH3COO]- 265.104991 194.1
[M+Na-2H]- 227.065806 144.3
[M]+ 206.09059142 147.9
[M]- 206.09168858 147.9
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

patents stripe