CID 138054098

2248382-93-4

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CC1=C(SC(=N1)C(C)NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H18N2O4S/c1-6-8(10(15)16)19-9(13-6)7(2)14-11(17)18-12(3,4)5/h7H,1-5H3,(H,14,17)(H,15,16)
InChIKey
MZEGGMCWVAXOTK-UHFFFAOYSA-N
Compound name
4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09872 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.105996 166.4
[M+Na]+ 309.087938 172.7
[M-H]- 285.091444 167.8
[M+NH4]+ 304.132543 182.4
[M+K]+ 325.061878 171.3
[M+H-H2O]+ 269.095980 160.5
[M+HCOO]- 331.096921 180.2
[M+CH3COO]- 345.112571 198.9
[M+Na-2H]- 307.073386 164.3
[M]+ 286.09817142 170.6
[M]- 286.09926858 170.6
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.