CID 2759523

4-julolidine boronic acid

Structural Information

Molecular Formula
C12H16BNO2
SMILES
B(C1=CC2=C3C(=C1)CCCN3CCC2)(O)O
InChI
InChI=1S/C12H16BNO2/c15-13(16)11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8,15-16H,1-6H2
InChIKey
SYBWUXYYINOPAC-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13469 146.9
[M+Na]+ 240.11663 151.9
[M-H]- 216.12013 146.5
[M+NH4]+ 235.16123 164.8
[M+K]+ 256.09057 148.2
[M+H-H2O]+ 200.12467 140.2
[M+HCOO]- 262.12561 159.2
[M+CH3COO]- 276.14126 157.0
[M+Na-2H]- 238.10208 152.5
[M]+ 217.12686 141.7
[M]- 217.12796 141.7
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