CID 71633895

1355388-42-9

Structural Information

Molecular Formula
C15H24BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCCC(C3)O
InChI
InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)11-8-17-13(18-9-11)19-7-5-6-12(20)10-19/h8-9,12,20H,5-7,10H2,1-4H3
InChIKey
BHQIBZBHCNVTAZ-UHFFFAOYSA-N
Compound name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.19107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19835 170.2
[M+Na]+ 328.18029 177.5
[M-H]- 304.18379 175.9
[M+NH4]+ 323.22489 183.5
[M+K]+ 344.15423 176.7
[M+H-H2O]+ 288.18833 161.5
[M+HCOO]- 350.18927 182.3
[M+CH3COO]- 364.20492 180.4
[M+Na-2H]- 326.16574 172.2
[M]+ 305.19052 168.7
[M]- 305.19162 168.7
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

No patent data available for this compound.