CID 42647313

1036991-40-8

Structural Information

Molecular Formula
C11H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C)C
InChI
InChI=1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChIKey
ZLIQCQOFVHSHPX-UHFFFAOYSA-N
Compound name
1,5-dimethyl-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

554
Patents

222.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.161236 142.3
[M+Na]+ 245.143178 153.4
[M-H]- 221.146684 148.9
[M+NH4]+ 240.187783 163.9
[M+K]+ 261.117118 154.1
[M+H-H2O]+ 205.151220 137.9
[M+HCOO]- 267.152161 162.2
[M+CH3COO]- 281.167811 189.9
[M+Na-2H]- 243.128626 146.3
[M]+ 222.15341142 146.9
[M]- 222.15450858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe