CID 46864007

870521-33-8

Structural Information

Molecular Formula
C8H12BN3O3
SMILES
B(C1=CN=C(N=C1)N2CCOCC2)(O)O
InChI
InChI=1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
InChIKey
KFYQOIHLZBDFBU-UHFFFAOYSA-N
Compound name
(2-morpholin-4-ylpyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

209.09717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10445 145.2
[M+Na]+ 232.08639 156.6
[M+NH4]+ 227.13099 151.3
[M+K]+ 248.06033 153.0
[M-H]- 208.08989 146.9
[M+Na-2H]- 230.07184 150.4
[M]+ 209.09662 147.0
[M]- 209.09772 147.0
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