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]+ 274.085616 161.6
[M+Na]+ 296.067558 168.0
[M-H]- 272.071064 162.6
[M+NH4]+ 291.112163 177.4
[M+K]+ 312.041498 166.1
[M+H-H2O]+ 256.075600 155.2
[M+HCOO]- 318.076541 177.3
[M+CH3COO]- 332.092191 196.8
[M+Na-2H]- 294.053006 161.1
[M]+ 273.07779142 163.8
[M]- 273.07888858 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.