CID 86207904

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

Structural Information

Molecular Formula
C13H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C(C)OCC
InChI
InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-11(8-9-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3
InChIKey
UKRZURWJHGZFFY-UHFFFAOYSA-N
Compound name
1-(1-ethoxyethyl)-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

266.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18746 155.7
[M+Na]+ 289.16940 164.5
[M-H]- 265.17290 161.7
[M+NH4]+ 284.21400 175.0
[M+K]+ 305.14334 165.9
[M+H-H2O]+ 249.17744 150.7
[M+HCOO]- 311.17838 174.1
[M+CH3COO]- 325.19403 197.5
[M+Na-2H]- 287.15485 158.3
[M]+ 266.17963 161.4
[M]- 266.18073 161.4
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.