CID 10588096

Ethyl 5-(aminomethyl)isoxazole-3-carboxylate, 5-boc protected

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CCOC(=O)C1=NOC(=C1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H18N2O5/c1-5-17-10(15)9-6-8(19-14-9)7-13-11(16)18-12(2,3)4/h6H,5,7H2,1-4H3,(H,13,16)
InChIKey
XMBGWRAQFDOMCS-UHFFFAOYSA-N
Compound name
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

270.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.128856 161.6
[M+Na]+ 293.110798 167.9
[M-H]- 269.114304 164.7
[M+NH4]+ 288.155403 176.9
[M+K]+ 309.084738 169.2
[M+H-H2O]+ 253.118840 155.0
[M+HCOO]- 315.119781 182.6
[M+CH3COO]- 329.135431 197.1
[M+Na-2H]- 291.096246 165.3
[M]+ 270.12103142 167.7
[M]- 270.12212858 167.7
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