CID 7131313

871673-30-2

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC1=NSC(=C1C(=O)C)N
InChI
InChI=1S/C6H8N2OS/c1-3-5(4(2)9)6(7)10-8-3/h7H2,1-2H3
InChIKey
ZRTVPUDCMVBHEL-UHFFFAOYSA-N
Compound name
1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 130.2
[M+Na]+ 179.02496 140.1
[M-H]- 155.02846 133.2
[M+NH4]+ 174.06956 152.2
[M+K]+ 194.99890 138.0
[M+H-H2O]+ 139.03300 124.6
[M+HCOO]- 201.03394 149.5
[M+CH3COO]- 215.04959 177.2
[M+Na-2H]- 177.01041 130.9
[M]+ 156.03519 131.6
[M]- 156.03629 131.6
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.