CID 49760430

1350913-08-4

Structural Information

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

78
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 148.9
[M+Na]+ 257.14318 158.0
[M-H]- 233.14668 156.4
[M+NH4]+ 252.18778 168.9
[M+K]+ 273.11712 158.3
[M+H-H2O]+ 217.15122 143.3
[M+HCOO]- 279.15216 170.0
[M+CH3COO]- 293.16781 193.5
[M+Na-2H]- 255.12863 155.8
[M]+ 234.15341 151.5
[M]- 234.15451 151.5
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