CID 75487104

2304635-45-6

Structural Information

Molecular Formula
C14H21BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)CC(=O)OCC
InChI
InChI=1S/C14H21BN2O4/c1-6-19-12(18)7-11-16-8-10(9-17-11)15-20-13(2,3)14(4,5)21-15/h8-9H,6-7H2,1-5H3
InChIKey
AAMVFZOJYQUKKP-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

292.15942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16670 162.2
[M+Na]+ 315.14864 171.1
[M-H]- 291.15214 168.1
[M+NH4]+ 310.19324 178.5
[M+K]+ 331.12258 172.1
[M+H-H2O]+ 275.15668 155.8
[M+HCOO]- 337.15762 179.9
[M+CH3COO]- 351.17327 200.9
[M+Na-2H]- 313.13409 166.6
[M]+ 292.15887 168.2
[M]- 292.15997 168.2
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