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 161.8
[M+Na]+ 285.14297 164.7
[M-H]- 261.14647 161.9
[M+NH4]+ 280.18757 179.0
[M+K]+ 301.11691 161.0
[M+H-H2O]+ 245.15101 154.3
[M+HCOO]- 307.15195 173.3
[M+CH3COO]- 321.16760 205.9
[M+Na-2H]- 283.12842 159.2
[M]+ 262.15320 166.0
[M]- 262.15430 166.0
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.