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

0
Patents

267.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13508 152.2
[M+Na]+ 290.11702 161.6
[M-H]- 266.12052 160.3
[M+NH4]+ 285.16162 171.3
[M+K]+ 306.09096 164.5
[M+H-H2O]+ 250.12506 149.0
[M+HCOO]- 312.12600 171.7
[M+CH3COO]- 326.14165 195.1
[M+Na-2H]- 288.10247 156.8
[M]+ 267.12725 159.8
[M]- 267.12835 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

No patent data available for this compound.