CID 11587208

1-(tetrahydro-2h-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C14H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CCCCO3
InChI
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
InChIKey
ZZRFDLHBMBHJTI-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)-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

831
Patents

278.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18746 160.0
[M+Na]+ 301.16940 167.2
[M-H]- 277.17290 168.9
[M+NH4]+ 296.21400 176.8
[M+K]+ 317.14334 168.6
[M+H-H2O]+ 261.17744 153.9
[M+HCOO]- 323.17838 175.1
[M+CH3COO]- 337.19403 172.1
[M+Na-2H]- 299.15485 162.0
[M]+ 278.17963 160.4
[M]- 278.18073 160.4
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