CID 99973131

2223033-00-7

Structural Information

Molecular Formula
C14H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCC3)N=C2
InChI
InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)11-8-10-6-5-7-12(10)16-9-11/h8-9H,5-7H2,1-4H3
InChIKey
REIYTAWNXLYGMU-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16598 152.3
[M+Na]+ 268.14792 161.8
[M-H]- 244.15142 160.4
[M+NH4]+ 263.19252 174.8
[M+K]+ 284.12186 161.1
[M+H-H2O]+ 228.15596 147.4
[M+HCOO]- 290.15690 170.9
[M+CH3COO]- 304.17255 166.1
[M+Na-2H]- 266.13337 156.5
[M]+ 245.15815 154.3
[M]- 245.15925 154.3
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