CID 10199046

2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)(C)OC(=O)NCC1=NC(=CS1)C(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)11-4-7-12-6(5-17-7)8(13)14/h5H,4H2,1-3H3,(H,11,15)(H,13,14)
InChIKey
RKTDDQLCSYDRLH-UHFFFAOYSA-N
Compound name
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

120
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

literature stripe

Patent stripe

patents stripe