CID 91933794

2227297-73-4

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CCC3
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-8-9-15-16(11)10-6-5-7-10/h8-10H,5-7H2,1-4H3
InChIKey
OJTMHQQLNFCWDW-UHFFFAOYSA-N
Compound name
1-cyclobutyl-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

21
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 146.5
[M+Na]+ 271.15882 153.6
[M-H]- 247.16232 155.4
[M+NH4]+ 266.20342 159.9
[M+K]+ 287.13276 156.6
[M+H-H2O]+ 231.16686 137.3
[M+HCOO]- 293.16780 164.1
[M+CH3COO]- 307.18345 195.8
[M+Na-2H]- 269.14427 149.4
[M]+ 248.16905 157.0
[M]- 248.17015 157.0
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