CID 3047766

111506-16-2

Structural Information

Molecular Formula
C4H7N3OS
SMILES
C(C1C(=O)N=C(S1)N)N
InChI
InChI=1S/C4H7N3OS/c5-1-2-3(8)7-4(6)9-2/h2H,1,5H2,(H2,6,7,8)
InChIKey
WJDLUKHDNJUIIK-UHFFFAOYSA-N
Compound name
2-amino-5-(aminomethyl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.03099 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 126.0
[M+Na]+ 168.02021 135.0
[M-H]- 144.02371 128.1
[M+NH4]+ 163.06481 147.6
[M+K]+ 183.99415 132.6
[M+H-H2O]+ 128.02825 120.0
[M+HCOO]- 190.02919 145.8
[M+CH3COO]- 204.04484 175.0
[M+Na-2H]- 166.00566 127.4
[M]+ 145.03044 124.0
[M]- 145.03154 124.0
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

No patent data available for this compound.