CID 59231689

1323919-64-7

Structural Information

Molecular Formula
C15H26BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C
InChI
InChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-10-17-19(11-12)13-6-8-18(5)9-7-13/h10-11,13H,6-9H2,1-5H3
InChIKey
PRLTVODJPCFDHW-UHFFFAOYSA-N
Compound name
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

291.2118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21908 165.2
[M+Na]+ 314.20102 172.8
[M-H]- 290.20452 172.3
[M+NH4]+ 309.24562 181.7
[M+K]+ 330.17496 172.5
[M+H-H2O]+ 274.20906 157.7
[M+HCOO]- 336.21000 179.5
[M+CH3COO]- 350.22565 176.5
[M+Na-2H]- 312.18647 165.0
[M]+ 291.21125 164.8
[M]- 291.21235 164.8
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