CID 45788496

1040377-03-4

Structural Information

Molecular Formula
C14H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCOCC3
InChI
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-5-7-18-8-6-12/h9-10,12H,5-8H2,1-4H3
InChIKey
BOOVIFJKQGYEON-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)-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

459
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

No literature data available for this compound.

Patent stripe

patents stripe