CID 45787276

(2-cyclopropylpyrimidin-5-yl)boronic acid hydrochloride

Structural Information

Molecular Formula
C7H9BN2O2
SMILES
B(C1=CN=C(N=C1)C2CC2)(O)O
InChI
InChI=1S/C7H9BN2O2/c11-8(12)6-3-9-7(10-4-6)5-1-2-5/h3-5,11-12H,1-2H2
InChIKey
HIBBMEFTPMTWOY-UHFFFAOYSA-N
Compound name
(2-cyclopropylpyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

164.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08299 136.0
[M+Na]+ 187.06493 145.7
[M-H]- 163.06843 138.6
[M+NH4]+ 182.10953 148.0
[M+K]+ 203.03887 141.9
[M+H-H2O]+ 147.07297 128.7
[M+HCOO]- 209.07391 155.6
[M+CH3COO]- 223.08956 176.2
[M+Na-2H]- 185.05038 142.2
[M]+ 164.07516 136.6
[M]- 164.07626 136.6
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