CID 3038141

Brn 2086015

Structural Information

Molecular Formula
C5H11N3OS2
SMILES
CN(C)CC(=O)NNC(=S)S
InChI
InChI=1S/C5H11N3OS2/c1-8(2)3-4(9)6-7-5(10)11/h3H2,1-2H3,(H,6,9)(H2,7,10,11)
InChIKey
CBRQNBSGJHRNFI-UHFFFAOYSA-N
Compound name
[[2-(dimethylamino)acetyl]amino]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03435 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04163 141.6
[M+Na]+ 216.02357 146.9
[M+NH4]+ 211.06817 148.7
[M+K]+ 231.99751 140.3
[M-H]- 192.02707 141.9
[M+Na-2H]- 214.00902 143.1
[M]+ 193.03380 142.8
[M]- 193.03490 142.8
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.