CID 11184857

(2s)-2-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-2-yl)propanoic acid

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=NC=CS1)C(=O)O
InChI
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-7(9(14)15)6-8-12-4-5-18-8/h4-5,7H,6H2,1-3H3,(H,13,16)(H,14,15)/t7-/m0/s1
InChIKey
OCKHEPQMWWPCNK-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 163.3
[M+Na]+ 295.07229 168.4
[M-H]- 271.07579 164.2
[M+NH4]+ 290.11689 179.3
[M+K]+ 311.04623 167.2
[M+H-H2O]+ 255.08033 157.0
[M+HCOO]- 317.08127 177.6
[M+CH3COO]- 331.09692 193.4
[M+Na-2H]- 293.05774 162.9
[M]+ 272.08252 166.4
[M]- 272.08362 166.4
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