CID 2253

Atpa

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)(C)C1=C(C(=O)NO1)CC(C(=O)O)N
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKey
PIXJURSCCVBKRF-UHFFFAOYSA-N
Compound name
2-amino-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

67
References

48
Patents

228.11101 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 150.7
[M+Na]+ 251.10023 157.7
[M+NH4]+ 246.14483 154.6
[M+K]+ 267.07417 158.8
[M-H]- 227.10373 149.0
[M+Na-2H]- 249.08568 150.9
[M]+ 228.11046 150.6
[M]- 228.11156 150.6
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