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

1
Patents

305.19107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.198346 170.2
[M+Na]+ 328.180288 177.5
[M-H]- 304.183794 175.9
[M+NH4]+ 323.224893 183.5
[M+K]+ 344.154228 176.7
[M+H-H2O]+ 288.188330 161.5
[M+HCOO]- 350.189271 182.3
[M+CH3COO]- 364.204921 180.4
[M+Na-2H]- 326.165736 172.2
[M]+ 305.19052142 168.7
[M]- 305.19161858 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

patents stripe