CID 137965800

2230807-73-3

Structural Information

Molecular Formula
C10H15N3O4S
SMILES
CC(C)(C)OC(=O)NCC1=NC(=C(S1)N)C(=O)O
InChI
InChI=1S/C10H15N3O4S/c1-10(2,3)17-9(16)12-4-5-13-6(8(14)15)7(11)18-5/h4,11H2,1-3H3,(H,12,16)(H,14,15)
InChIKey
ATHODSZUXHNDHC-UHFFFAOYSA-N
Compound name
5-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07834 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08562 161.6
[M+Na]+ 296.06756 168.0
[M-H]- 272.07106 162.6
[M+NH4]+ 291.11216 177.4
[M+K]+ 312.04150 166.1
[M+H-H2O]+ 256.07560 155.2
[M+HCOO]- 318.07654 177.3
[M+CH3COO]- 332.09219 196.8
[M+Na-2H]- 294.05301 161.1
[M]+ 273.07779 163.8
[M]- 273.07889 163.8
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.