CID 58387577

6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)N)C
InChI
InChI=1S/C12H19BN2O2/c1-8-6-9(7-10(14)15-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3,(H2,14,15)
InChIKey
ITIBNRCABNVQDX-UHFFFAOYSA-N
Compound name
6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 149.1
[M+Na]+ 257.14318 159.2
[M-H]- 233.14668 156.5
[M+NH4]+ 252.18778 169.2
[M+K]+ 273.11712 159.1
[M+H-H2O]+ 217.15122 143.9
[M+HCOO]- 279.15216 169.6
[M+CH3COO]- 293.16781 194.1
[M+Na-2H]- 255.12863 154.4
[M]+ 234.15341 151.1
[M]- 234.15451 151.1
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