CID 393509

Nsc695570

Structural Information

Molecular Formula
C6H9BN2O4
SMILES
B(C1=CN(C(=O)N=C1OC)C)(O)O
InChI
InChI=1S/C6H9BN2O4/c1-9-3-4(7(11)12)5(13-2)8-6(9)10/h3,11-12H,1-2H3
InChIKey
CLJHTJYINSXMDV-UHFFFAOYSA-N
Compound name
(4-methoxy-1-methyl-2-oxopyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07282 133.8
[M+Na]+ 207.05476 143.8
[M-H]- 183.05826 133.1
[M+NH4]+ 202.09936 150.2
[M+K]+ 223.02870 142.5
[M+H-H2O]+ 167.06280 127.4
[M+HCOO]- 229.06374 153.5
[M+CH3COO]- 243.07939 176.9
[M+Na-2H]- 205.04021 138.9
[M]+ 184.06499 135.8
[M]- 184.06609 135.8
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

No patent data available for this compound.