CID 53217109

1-tert-butyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C13H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)(C)C
InChI
InChI=1S/C13H23BN2O2/c1-11(2,3)16-9-10(8-15-16)14-17-12(4,5)13(6,7)18-14/h8-9H,1-7H3
InChIKey
MXAMURVMMKANFD-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

250.18526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.19254 151.8
[M+Na]+ 273.17448 161.5
[M-H]- 249.17798 158.1
[M+NH4]+ 268.21908 172.1
[M+K]+ 289.14842 162.4
[M+H-H2O]+ 233.18252 147.7
[M+HCOO]- 295.18346 169.5
[M+CH3COO]- 309.19911 194.4
[M+Na-2H]- 271.15993 156.6
[M]+ 250.18471 156.1
[M]- 250.18581 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe