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 162.9
[M+Na]+ 295.07229 169.1
[M-H]- 271.07579 164.1
[M+NH4]+ 290.11689 179.3
[M+K]+ 311.04623 167.4
[M+H-H2O]+ 255.08033 156.7
[M+HCOO]- 317.08127 178.1
[M+CH3COO]- 331.09692 193.7
[M+Na-2H]- 293.05774 162.9
[M]+ 272.08252 167.0
[M]- 272.08362 167.0
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