CID 3032694

18997-73-4

Structural Information

Molecular Formula
C12H26N2S2
SMILES
CCCCN(CCCC)CCCNC(=S)S
InChI
InChI=1S/C12H26N2S2/c1-3-5-9-14(10-6-4-2)11-7-8-13-12(15)16/h3-11H2,1-2H3,(H2,13,15,16)
InChIKey
PJJNBEZISWOWLZ-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.15375 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16103 163.0
[M+Na]+ 285.14297 169.0
[M+NH4]+ 280.18757 170.5
[M+K]+ 301.11691 159.2
[M-H]- 261.14647 163.9
[M+Na-2H]- 283.12842 164.0
[M]+ 262.15320 164.7
[M]- 262.15430 164.7
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.