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]+ 199.08997 144.0
[M+Na]+ 221.07191 152.3
[M-H]- 197.07541 146.6
[M+NH4]+ 216.11651 164.2
[M+K]+ 237.04585 150.0
[M+H-H2O]+ 181.07995 137.9
[M+HCOO]- 243.08089 161.4
[M+CH3COO]- 257.09654 187.1
[M+Na-2H]- 219.05736 142.2
[M]+ 198.08214 145.9
[M]- 198.08324 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.