CID 146050293

2173500-26-8

Structural Information

Molecular Formula
C11H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)CC
InChI
InChI=1S/C11H19BN2O2/c1-6-9-8(7-13-14-9)12-15-10(2,3)11(4,5)16-12/h7H,6H2,1-5H3,(H,13,14)
InChIKey
WLZWUSJSNIFOGJ-UHFFFAOYSA-N
Compound name
5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16124 144.8
[M+Na]+ 245.14318 154.4
[M-H]- 221.14668 149.6
[M+NH4]+ 240.18778 165.3
[M+K]+ 261.11712 154.3
[M+H-H2O]+ 205.15122 140.1
[M+HCOO]- 267.15216 163.2
[M+CH3COO]- 281.16781 186.1
[M+Na-2H]- 243.12863 148.8
[M]+ 222.15341 147.1
[M]- 222.15451 147.1
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