CID 46736798

1029716-44-6

Structural Information

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

516
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

literature stripe

Patent stripe

patents stripe