CID 16218385

864754-16-5

Structural Information

Molecular Formula
C13H21BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OCC
InChI
InChI=1S/C13H21BN2O4/c1-6-18-11(17)9-16-8-10(7-15-16)14-19-12(2,3)13(4,5)20-14/h7-8H,6,9H2,1-5H3
InChIKey
YUEZJHOSHBTWPV-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

280.15942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16670 160.5
[M+Na]+ 303.14864 170.1
[M+NH4]+ 298.19324 168.8
[M+K]+ 319.12258 167.0
[M-H]- 279.15214 163.0
[M+Na-2H]- 301.13409 165.4
[M]+ 280.15887 162.7
[M]- 280.15997 162.7
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