CID 3032691

18997-70-1

Structural Information

Molecular Formula
C9H20N2S2
SMILES
CCN(CC)CCCCNC(=S)S
InChI
InChI=1S/C9H20N2S2/c1-3-11(4-2)8-6-5-7-10-9(12)13/h3-8H2,1-2H3,(H2,10,12,13)
InChIKey
DWUHFPYGGOZFIF-UHFFFAOYSA-N
Compound name
4-(diethylamino)butylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11408 149.4
[M+Na]+ 243.09602 153.5
[M-H]- 219.09952 150.0
[M+NH4]+ 238.14062 168.2
[M+K]+ 259.06996 150.5
[M+H-H2O]+ 203.10406 142.4
[M+HCOO]- 265.10500 161.7
[M+CH3COO]- 279.12065 197.1
[M+Na-2H]- 241.08147 148.0
[M]+ 220.10625 152.4
[M]- 220.10735 152.4
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.