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

40
Patents

270.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 161.6
[M+Na]+ 293.11080 167.9
[M-H]- 269.11430 164.7
[M+NH4]+ 288.15540 176.9
[M+K]+ 309.08474 169.2
[M+H-H2O]+ 253.11884 155.0
[M+HCOO]- 315.11978 182.6
[M+CH3COO]- 329.13543 197.1
[M+Na-2H]- 291.09625 165.3
[M]+ 270.12103 167.7
[M]- 270.12213 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