CID 53398059

947249-19-6

Structural Information

Molecular Formula
C12H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)OC
InChI
InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)8-6-9(16-5)10(14)15-7-8/h6-7H,1-5H3,(H2,14,15)
InChIKey
OXNSEGHJPTXNPF-UHFFFAOYSA-N
Compound name
3-methoxy-5-(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

38
Patents

250.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15616 152.1
[M+Na]+ 273.13810 161.9
[M-H]- 249.14160 159.4
[M+NH4]+ 268.18270 171.4
[M+K]+ 289.11204 162.5
[M+H-H2O]+ 233.14614 146.8
[M+HCOO]- 295.14708 172.7
[M+CH3COO]- 309.16273 196.3
[M+Na-2H]- 271.12355 157.5
[M]+ 250.14833 155.6
[M]- 250.14943 155.6
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