CID 51072189

N,n-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-8-11(15-9-10)16(5)6/h7-9H,1-6H3
InChIKey
KSAMKARQFVLMFC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

219
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 152.7
[M+Na]+ 271.15882 161.5
[M-H]- 247.16232 161.5
[M+NH4]+ 266.20342 172.8
[M+K]+ 287.13276 163.0
[M+H-H2O]+ 231.16686 146.9
[M+HCOO]- 293.16780 174.0
[M+CH3COO]- 307.18345 199.9
[M+Na-2H]- 269.14427 158.4
[M]+ 248.16905 156.8
[M]- 248.17015 156.8
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