CID 66521441

1402174-61-1

Structural Information

Molecular Formula
C15H25BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C(=C2)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25BN2O4/c1-10-9-11(16-21-14(5,6)15(7,8)22-16)17-18(10)12(19)20-13(2,3)4/h9H,1-8H3
InChIKey
FRISRJSQKQZPGS-UHFFFAOYSA-N
Compound name
tert-butyl 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19801 164.4
[M+Na]+ 331.17995 174.0
[M-H]- 307.18345 171.0
[M+NH4]+ 326.22455 182.6
[M+K]+ 347.15389 175.6
[M+H-H2O]+ 291.18799 160.9
[M+HCOO]- 353.18893 181.1
[M+CH3COO]- 367.20458 204.5
[M+Na-2H]- 329.16540 167.3
[M]+ 308.19018 171.4
[M]- 308.19128 171.4
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

No patent data available for this compound.