CID 2736778

2-methoxypyrimidine-5-boronic acid

Structural Information

Molecular Formula
C5H7BN2O3
SMILES
B(C1=CN=C(N=C1)OC)(O)O
InChI
InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChIKey
YPWAJLGHACDYQS-UHFFFAOYSA-N
Compound name
(2-methoxypyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1980
Patents

154.05498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06226 127.9
[M+Na]+ 177.04420 136.4
[M-H]- 153.04770 126.6
[M+NH4]+ 172.08880 145.0
[M+K]+ 193.01814 135.2
[M+H-H2O]+ 137.05224 121.3
[M+HCOO]- 199.05318 147.6
[M+CH3COO]- 213.06883 170.0
[M+Na-2H]- 175.02965 135.0
[M]+ 154.05443 128.0
[M]- 154.05553 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe