CID 73977890

1876473-44-7

Structural Information

Molecular Formula
C12H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3COC3
InChI
InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)10-5-6-14-15(10)9-7-16-8-9/h5-6,9H,7-8H2,1-4H3
InChIKey
VHNCSHVEKCWKMA-UHFFFAOYSA-N
Compound name
1-(oxetan-3-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

28
Patents

250.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15616 143.1
[M+Na]+ 273.13810 150.4
[M-H]- 249.14160 152.6
[M+NH4]+ 268.18270 155.1
[M+K]+ 289.11204 155.1
[M+H-H2O]+ 233.14614 134.6
[M+HCOO]- 295.14708 160.2
[M+CH3COO]- 309.16273 195.4
[M+Na-2H]- 271.12355 147.3
[M]+ 250.14833 155.2
[M]- 250.14943 155.2
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