CID 134818152

2246875-70-5

Structural Information

Molecular Formula
C12H18BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NO2)C(=O)OCC
InChI
InChI=1S/C12H18BNO5/c1-6-16-10(15)8-7-9(17-14-8)13-18-11(2,3)12(4,5)19-13/h7H,6H2,1-5H3
InChIKey
UARZUNHZFYJYRQ-UHFFFAOYSA-N
Compound name
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.135076 152.2
[M+Na]+ 290.117018 161.6
[M-H]- 266.120524 160.3
[M+NH4]+ 285.161623 171.3
[M+K]+ 306.090958 164.5
[M+H-H2O]+ 250.125060 149.0
[M+HCOO]- 312.126001 171.7
[M+CH3COO]- 326.141651 195.1
[M+Na-2H]- 288.102466 156.8
[M]+ 267.12725142 159.8
[M]- 267.12834858 159.8
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