CID 16414224

1015242-07-5

Structural Information

Molecular Formula
C14H22BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCCC3
InChI
InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-9-16-12(17-10-11)18-7-5-6-8-18/h9-10H,5-8H2,1-4H3
InChIKey
CGSCNCRVBHIXSO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

275.1805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18778 159.4
[M+Na]+ 298.16972 167.6
[M-H]- 274.17322 166.8
[M+NH4]+ 293.21432 176.4
[M+K]+ 314.14366 167.4
[M+H-H2O]+ 258.17776 151.7
[M+HCOO]- 320.17870 175.6
[M+CH3COO]- 334.19435 171.5
[M+Na-2H]- 296.15517 161.3
[M]+ 275.17995 159.7
[M]- 275.18105 159.7
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