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]+ 287.10600 166.4
[M+Na]+ 309.08794 172.7
[M-H]- 285.09144 167.8
[M+NH4]+ 304.13254 182.4
[M+K]+ 325.06188 171.3
[M+H-H2O]+ 269.09598 160.5
[M+HCOO]- 331.09692 180.2
[M+CH3COO]- 345.11257 198.9
[M+Na-2H]- 307.07339 164.3
[M]+ 286.09817 170.6
[M]- 286.09927 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.