CID 59619626

1225066-77-2

Structural Information

Molecular Formula
C15H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CC[C@H](C3)O
InChI
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(17-9-11)18-8-7-12(19)10-18/h5-6,9,12,19H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKey
XPCHHGJECYUSQD-GFCCVEGCSA-N
Compound name
(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

290.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18746 163.1
[M+Na]+ 313.16940 171.2
[M-H]- 289.17290 170.8
[M+NH4]+ 308.21400 180.4
[M+K]+ 329.14334 170.5
[M+H-H2O]+ 273.17744 157.0
[M+HCOO]- 335.17838 178.9
[M+CH3COO]- 349.19403 175.0
[M+Na-2H]- 311.15485 164.2
[M]+ 290.17963 163.4
[M]- 290.18073 163.4
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