CID 72214537

1876473-38-9

Structural Information

Molecular Formula
C13H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C(C)(C)C
InChI
InChI=1S/C13H23BN2O2/c1-11(2,3)16-10(8-9-15-16)14-17-12(4,5)13(6,7)18-14/h8-9H,1-7H3
InChIKey
KOOCTSXNQOWSBL-UHFFFAOYSA-N
Compound name
1-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

250.18526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.192536 151.8
[M+Na]+ 273.174478 161.5
[M-H]- 249.177984 158.1
[M+NH4]+ 268.219083 172.1
[M+K]+ 289.148418 162.4
[M+H-H2O]+ 233.182520 147.7
[M+HCOO]- 295.183461 169.5
[M+CH3COO]- 309.199111 194.4
[M+Na-2H]- 271.159926 156.6
[M]+ 250.18471142 156.1
[M]- 250.18580858 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

No literature data available for this compound.

Patent stripe

patents stripe