CID 3246302

20950-84-9

Structural Information

Molecular Formula
C3H8N2S2
SMILES
C(CNC(=S)S)N
InChI
InChI=1S/C3H8N2S2/c4-1-2-5-3(6)7/h1-2,4H2,(H2,5,6,7)
InChIKey
NJGRNRAXMBFJJY-UHFFFAOYSA-N
Compound name
2-aminoethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

235
Patents

136.0129 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02018 123.5
[M+Na]+ 159.00212 130.1
[M-H]- 135.00562 123.2
[M+NH4]+ 154.04672 144.7
[M+K]+ 174.97606 126.7
[M+H-H2O]+ 119.01016 117.9
[M+HCOO]- 181.01110 136.6
[M+CH3COO]- 195.02675 175.2
[M+Na-2H]- 156.98757 124.5
[M]+ 136.01235 122.1
[M]- 136.01345 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe