CID 2041781

2-carbamothioylacetamide

Structural Information

Molecular Formula
C3H6N2OS
SMILES
C(C(=O)N)C(=S)N
InChI
InChI=1S/C3H6N2OS/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey
RZZJZGZPXBMZGL-UHFFFAOYSA-N
Compound name
3-amino-3-sulfanylidenepropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

118.02008 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02736 121.9
[M+Na]+ 141.00930 128.5
[M-H]- 117.01280 121.6
[M+NH4]+ 136.05390 143.4
[M+K]+ 156.98324 127.0
[M+H-H2O]+ 101.01734 116.6
[M+HCOO]- 163.01828 140.1
[M+CH3COO]- 177.03393 172.1
[M+Na-2H]- 138.99475 122.9
[M]+ 118.01953 119.0
[M]- 118.02063 119.0
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