CID 121604548

2-{[(tert-butoxy)carbonyl]amino}-3-(4-methyl-1,2,5-oxadiazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CC1=NON=C1CC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H17N3O5/c1-6-7(14-19-13-6)5-8(9(15)16)12-10(17)18-11(2,3)4/h8H,5H2,1-4H3,(H,12,17)(H,15,16)
InChIKey
DBDCZIRMICENLK-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11682 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 161.3
[M+Na]+ 294.10604 167.3
[M-H]- 270.10954 162.0
[M+NH4]+ 289.15064 174.4
[M+K]+ 310.07998 168.4
[M+H-H2O]+ 254.11408 154.3
[M+HCOO]- 316.11502 178.9
[M+CH3COO]- 330.13067 196.2
[M+Na-2H]- 292.09149 163.9
[M]+ 271.11627 165.1
[M]- 271.11737 165.1
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

No patent data available for this compound.