CID 3032689

18997-68-7

Structural Information

Molecular Formula
C7H16N2S2
SMILES
CN(C)CCCCNC(=S)S
InChI
InChI=1S/C7H16N2S2/c1-9(2)6-4-3-5-8-7(10)11/h3-6H2,1-2H3,(H2,8,10,11)
InChIKey
DCHCGJGEXGQXPE-UHFFFAOYSA-N
Compound name
4-(dimethylamino)butylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07549 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08277 141.0
[M+Na]+ 215.06471 146.0
[M-H]- 191.06821 142.0
[M+NH4]+ 210.10931 160.9
[M+K]+ 231.03865 143.5
[M+H-H2O]+ 175.07275 134.3
[M+HCOO]- 237.07369 153.9
[M+CH3COO]- 251.08934 191.2
[M+Na-2H]- 213.05016 140.5
[M]+ 192.07494 143.3
[M]- 192.07604 143.3
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.