CID 53217146

1256359-25-7

Structural Information

Molecular Formula
C15H27BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(OCC)OCC
InChI
InChI=1S/C15H27BN2O4/c1-7-19-13(20-8-2)11-18-10-12(9-17-18)16-21-14(3,4)15(5,6)22-16/h9-10,13H,7-8,11H2,1-6H3
InChIKey
XOJUUYBIPJNLCT-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-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

6
Patents

310.2064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21368 167.4
[M+Na]+ 333.19562 175.1
[M-H]- 309.19912 173.0
[M+NH4]+ 328.24022 184.8
[M+K]+ 349.16956 176.6
[M+H-H2O]+ 293.20366 162.0
[M+HCOO]- 355.20460 185.3
[M+CH3COO]- 369.22025 205.4
[M+Na-2H]- 331.18107 169.2
[M]+ 310.20585 175.2
[M]- 310.20695 175.2
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