CID 11414017

847818-75-1

Structural Information

Molecular Formula
C13H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CC(C)C
InChI
InChI=1S/C13H23BN2O2/c1-10(2)9-16-11(7-8-15-16)14-17-12(3,4)13(5,6)18-14/h7-8,10H,9H2,1-6H3
InChIKey
UCTGHVVGYUCXFN-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-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

45
Patents

250.18526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.19254 152.9
[M+Na]+ 273.17448 161.8
[M-H]- 249.17798 158.8
[M+NH4]+ 268.21908 172.9
[M+K]+ 289.14842 162.6
[M+H-H2O]+ 233.18252 147.9
[M+HCOO]- 295.18346 171.1
[M+CH3COO]- 309.19911 195.4
[M+Na-2H]- 271.15993 155.2
[M]+ 250.18471 157.1
[M]- 250.18581 157.1
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