CID 65312

Sodium dipropyldithiocarbamate

Structural Information

Molecular Formula
C7H15NS2
SMILES
CCCN(CCC)C(=S)S
InChI
InChI=1S/C7H15NS2/c1-3-5-8(6-4-2)7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKey
BQCRLWBELMWYQA-UHFFFAOYSA-N
Compound name
dipropylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

897
Patents

177.06459 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07187 136.9
[M+Na]+ 200.05381 142.9
[M-H]- 176.05731 138.3
[M+NH4]+ 195.09841 158.0
[M+K]+ 216.02775 140.7
[M+H-H2O]+ 160.06185 131.0
[M+HCOO]- 222.06279 149.1
[M+CH3COO]- 236.07844 186.5
[M+Na-2H]- 198.03926 136.0
[M]+ 177.06404 140.2
[M]- 177.06514 140.2
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.