CID 56965732

1002309-48-9

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCC3
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-15-16(9-10)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3
InChIKey
OBCTWWFLJFCNPC-UHFFFAOYSA-N
Compound name
1-cyclobutyl-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

129
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 151.0
[M+Na]+ 271.15882 157.6
[M+NH4]+ 266.20342 157.4
[M+K]+ 287.13276 155.1
[M-H]- 247.16232 153.6
[M+Na-2H]- 269.14427 155.8
[M]+ 248.16905 151.8
[M]- 248.17015 151.8
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

patents stripe