CID 97178760

2060033-37-4

Structural Information

Molecular Formula
C9H14N2OS
SMILES
CC1=C(SC(=N1)C(C)C)C(=O)CN
InChI
InChI=1S/C9H14N2OS/c1-5(2)9-11-6(3)8(13-9)7(12)4-10/h5H,4,10H2,1-3H3
InChIKey
RZRHWLJCRZWAFQ-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.089966 144.0
[M+Na]+ 221.071908 152.3
[M-H]- 197.075414 146.6
[M+NH4]+ 216.116513 164.2
[M+K]+ 237.045848 150.0
[M+H-H2O]+ 181.079950 137.9
[M+HCOO]- 243.080891 161.4
[M+CH3COO]- 257.096541 187.1
[M+Na-2H]- 219.057356 142.2
[M]+ 198.08214142 145.9
[M]- 198.08323858 145.9
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.