CID 165951236

4-methoxy-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C11H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)OC
InChI
InChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)9-8(15-6)7-13-14(9)5/h7H,1-6H3
InChIKey
PAEWOFQBGOBFNB-UHFFFAOYSA-N
Compound name
4-methoxy-1-methyl-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

0
Patents

238.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15616 145.2
[M+Na]+ 261.13810 156.1
[M-H]- 237.14160 151.8
[M+NH4]+ 256.18270 166.0
[M+K]+ 277.11204 157.4
[M+H-H2O]+ 221.14614 140.8
[M+HCOO]- 283.14708 165.3
[M+CH3COO]- 297.16273 191.9
[M+Na-2H]- 259.12355 149.4
[M]+ 238.14833 151.3
[M]- 238.14943 151.3
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.