CID 214874

34551-16-1

Structural Information

Molecular Formula
C4H7N3OS
SMILES
CN(C1=NC(=O)SC1)N
InChI
InChI=1S/C4H7N3OS/c1-7(5)3-2-9-4(8)6-3/h2,5H2,1H3
InChIKey
KNJCTFZVIQWGDB-UHFFFAOYSA-N
Compound name
4-[amino(methyl)amino]-5H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.03099 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 126.6
[M+Na]+ 168.02021 135.1
[M-H]- 144.02371 130.5
[M+NH4]+ 163.06481 149.0
[M+K]+ 183.99415 134.5
[M+H-H2O]+ 128.02825 120.3
[M+HCOO]- 190.02919 147.7
[M+CH3COO]- 204.04484 177.2
[M+Na-2H]- 166.00566 129.1
[M]+ 145.03044 126.5
[M]- 145.03154 126.5
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.