CID 46738008

1204334-21-3

Structural Information

Molecular Formula
C11H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)N
InChI
InChI=1S/C11H18BN3O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,13H2,1-4H3,(H2,14,15)
InChIKey
XYAJKHYERTYNDS-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

235.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15648 150.4
[M+Na]+ 258.13842 160.0
[M-H]- 234.14192 157.3
[M+NH4]+ 253.18302 169.7
[M+K]+ 274.11236 159.6
[M+H-H2O]+ 218.14646 144.9
[M+HCOO]- 280.14740 171.5
[M+CH3COO]- 294.16305 195.7
[M+Na-2H]- 256.12387 155.5
[M]+ 235.14865 150.4
[M]- 235.14975 150.4
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