CID 44557751

1198605-51-4

Structural Information

Molecular Formula
C14H23BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C=N2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-8-10(16-9-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
InChIKey
ZRFDSDXOTBYSLL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.17508 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18236 161.3
[M+Na]+ 317.16430 170.4
[M-H]- 293.16780 167.6
[M+NH4]+ 312.20890 179.7
[M+K]+ 333.13824 172.1
[M+H-H2O]+ 277.17234 157.4
[M+HCOO]- 339.17328 178.3
[M+CH3COO]- 353.18893 200.3
[M+Na-2H]- 315.14975 165.1
[M]+ 294.17453 167.4
[M]- 294.17563 167.4
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