CID 67182867

1202805-21-7

Structural Information

Molecular Formula
C16H26BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCCC(C3)CO
InChI
InChI=1S/C16H26BN3O3/c1-15(2)16(3,4)23-17(22-15)13-8-18-14(19-9-13)20-7-5-6-12(10-20)11-21/h8-9,12,21H,5-7,10-11H2,1-4H3
InChIKey
FHFYOUZVXPMZPD-UHFFFAOYSA-N
Compound name
[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

319.20673 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21401 174.5
[M+Na]+ 342.19595 181.4
[M-H]- 318.19945 180.0
[M+NH4]+ 337.24055 187.2
[M+K]+ 358.16989 180.4
[M+H-H2O]+ 302.20399 165.6
[M+HCOO]- 364.20493 186.2
[M+CH3COO]- 378.22058 184.3
[M+Na-2H]- 340.18140 176.0
[M]+ 319.20618 173.3
[M]- 319.20728 173.3
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