CID 73425357

185804-36-8

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(S1)C(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12-5-7-11-4-6(17-7)8(13)14/h4H,5H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
AETOCWDHZXGJII-UHFFFAOYSA-N
Compound name
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.0674 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 158.5
[M+Na]+ 281.05662 165.2
[M-H]- 257.06012 159.8
[M+NH4]+ 276.10122 175.4
[M+K]+ 297.03056 163.6
[M+H-H2O]+ 241.06466 152.5
[M+HCOO]- 303.06560 174.0
[M+CH3COO]- 317.08125 190.8
[M+Na-2H]- 279.04207 158.9
[M]+ 258.06685 162.2
[M]- 258.06795 162.2
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

patents stripe