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]+ 272.124096 161.3
[M+Na]+ 294.106038 167.3
[M-H]- 270.109544 162.0
[M+NH4]+ 289.150643 174.4
[M+K]+ 310.079978 168.4
[M+H-H2O]+ 254.114080 154.3
[M+HCOO]- 316.115021 178.9
[M+CH3COO]- 330.130671 196.2
[M+Na-2H]- 292.091486 163.9
[M]+ 271.11627142 165.1
[M]- 271.11736858 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.