CID 224368

877-663-5

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]+ 145.04302 124.8
[M+Na]+ 167.02496 135.2
[M-H]- 143.02846 127.7
[M+NH4]+ 162.06956 149.2
[M+K]+ 182.99890 133.4
[M+H-H2O]+ 127.03300 120.4
[M+HCOO]- 189.03394 144.1
[M+CH3COO]- 203.04959 173.2
[M+Na-2H]- 165.01041 127.9
[M]+ 144.03519 125.4
[M]- 144.03629 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