CID 46864007

2-morpholinopyrimidine-5-boronic acid

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

183
Patents

209.09717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10445 144.7
[M+Na]+ 232.08639 150.2
[M-H]- 208.08989 144.7
[M+NH4]+ 227.13099 156.1
[M+K]+ 248.06033 148.9
[M+H-H2O]+ 192.09443 135.7
[M+HCOO]- 254.09537 158.2
[M+CH3COO]- 268.11102 179.0
[M+Na-2H]- 230.07184 150.4
[M]+ 209.09662 140.2
[M]- 209.09772 140.2
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