CID 224368

Refchem:464407

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CC1(C(=O)N=C(S1)N)C
InChI
InChI=1S/C5H8N2OS/c1-5(2)3(8)7-4(6)9-5/h1-2H3,(H2,6,7,8)
InChIKey
IDALNGXBOPPKGA-UHFFFAOYSA-N
Compound name
2-amino-5,5-dimethyl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.03574 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 124.8
[M+Na]+ 167.024958 135.2
[M-H]- 143.028464 127.7
[M+NH4]+ 162.069563 149.2
[M+K]+ 182.998898 133.4
[M+H-H2O]+ 127.033000 120.4
[M+HCOO]- 189.033941 144.1
[M+CH3COO]- 203.049591 173.2
[M+Na-2H]- 165.010406 127.9
[M]+ 144.03519142 125.4
[M]- 144.03628858 125.4
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

patents stripe