CID 45117872

920313-46-8

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CC(C)(C)OC(=O)NC1=NC=C(S1)CCC(=O)O
InChI
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-9-12-6-7(18-9)4-5-8(14)15/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKey
AQWAPXTXWILCBI-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.08307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 163.4
[M+Na]+ 295.07229 169.6
[M+NH4]+ 290.11689 168.1
[M+K]+ 311.04623 167.2
[M-H]- 271.07579 161.1
[M+Na-2H]- 293.05774 164.4
[M]+ 272.08252 163.5
[M]- 272.08362 163.5
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