CID 17750211

936250-22-5

Structural Information

Molecular Formula

C₄H₆BN₃O₂

SMILES

B(C1=CN=C(N=C1)N)(O)O

InChI

InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)

InChIKey

CGHYQZASLKERLV-UHFFFAOYSA-N

Compound name

(2-aminopyrimidin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 881
Patents: 139.05531 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]+	140.06259	125.0
[M+Na]+	162.04453	133.2
[M-H]-	138.04803	123.4
[M+NH4]+	157.08913	142.2
[M+K]+	178.01847	131.3
[M+H-H2O]+	122.05257	118.4
[M+HCOO]-	184.05351	145.3
[M+CH3COO]-	198.06916	169.3
[M+Na-2H]-	160.02998	131.9
[M]+	139.05476	121.6
[M]-	139.05586	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe