CID 3085779

(3-morpholinopropyl)dithiocarbamic acid

Structural Information

Molecular Formula
C8H16N2OS2
SMILES
C1COCCN1CCCNC(=S)S
InChI
InChI=1S/C8H16N2OS2/c12-8(13)9-2-1-3-10-4-6-11-7-5-10/h1-7H2,(H2,9,12,13)
InChIKey
ZEGKIMZVMGGNQI-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0704 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07768 146.2
[M+Na]+ 243.05962 154.2
[M+NH4]+ 238.10422 154.4
[M+K]+ 259.03356 145.5
[M-H]- 219.06312 149.0
[M+Na-2H]- 241.04507 148.6
[M]+ 220.06985 148.8
[M]- 220.07095 148.8
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.