CID 129321624

1874279-25-0

Structural Information

Molecular Formula
C12H18BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C(=N2)C(=O)OC)N
InChI
InChI=1S/C12H18BN3O4/c1-11(2)12(3,4)20-13(19-11)7-6-15-9(14)8(16-7)10(17)18-5/h6H,1-5H3,(H2,14,15)
InChIKey
XHRLHTTZNZPOSU-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

279.13904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14632 158.6
[M+Na]+ 302.12826 168.4
[M-H]- 278.13176 164.7
[M+NH4]+ 297.17286 175.1
[M+K]+ 318.10220 169.3
[M+H-H2O]+ 262.13630 152.5
[M+HCOO]- 324.13724 177.3
[M+CH3COO]- 338.15289 200.9
[M+Na-2H]- 300.11371 162.9
[M]+ 279.13849 162.7
[M]- 279.13959 162.7
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