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: 1750
Patents: 154.05498 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.06226	128.8
[M+Na]+	177.04420	140.4
[M+NH4]+	172.08880	135.2
[M+K]+	193.01814	136.8
[M-H]-	153.04770	127.8
[M+Na-2H]-	175.02965	134.2
[M]+	154.05443	129.8
[M]-	154.05553	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe