CID 89498373

1430750-95-0

Structural Information

Molecular Formula
C16H27BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CCCCC3
InChI
InChI=1S/C16H27BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h10,12-13H,5-9,11H2,1-4H3
InChIKey
SURHEBIAXLFAIA-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-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

27
Patents

290.21655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.22383 166.0
[M+Na]+ 313.20577 172.3
[M-H]- 289.20927 173.9
[M+NH4]+ 308.25037 183.7
[M+K]+ 329.17971 171.9
[M+H-H2O]+ 273.21381 159.0
[M+HCOO]- 335.21475 181.3
[M+CH3COO]- 349.23040 177.3
[M+Na-2H]- 311.19122 166.3
[M]+ 290.21600 165.0
[M]- 290.21710 165.0
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