CID 485040

2-(1-tert-butoxycarbonylamino-3-methyl-butyl)-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CC(C)CC(C1=NC(=CO1)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N2O5/c1-8(2)6-9(16-13(19)21-14(3,4)5)11-15-10(7-20-11)12(17)18/h7-9H,6H2,1-5H3,(H,16,19)(H,17,18)
InChIKey
GXOCWHFJSJABSB-UHFFFAOYSA-N
Compound name
2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.15286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 170.9
[M+Na]+ 321.14208 175.3
[M-H]- 297.14558 172.4
[M+NH4]+ 316.18668 184.2
[M+K]+ 337.11602 176.5
[M+H-H2O]+ 281.15012 164.4
[M+HCOO]- 343.15106 187.8
[M+CH3COO]- 357.16671 203.3
[M+Na-2H]- 319.12753 170.8
[M]+ 298.15231 174.6
[M]- 298.15341 174.6
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

No patent data available for this compound.