CID 137949186

2138226-81-8

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC(C)(C)C1=NSC(=C1C(=O)OC)N
InChI
InChI=1S/C9H14N2O2S/c1-9(2,3)6-5(8(12)13-4)7(10)14-11-6/h10H2,1-4H3
InChIKey
YYYYDILHPWCHML-UHFFFAOYSA-N
Compound name
methyl 5-amino-3-tert-butyl-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.084876 148.1
[M+Na]+ 237.066818 157.0
[M-H]- 213.070324 150.9
[M+NH4]+ 232.111423 167.9
[M+K]+ 253.040758 155.2
[M+H-H2O]+ 197.074860 142.5
[M+HCOO]- 259.075801 165.3
[M+CH3COO]- 273.091451 187.3
[M+Na-2H]- 235.052266 148.4
[M]+ 214.07705142 151.3
[M]- 214.07814858 151.3
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.