CID 123167486

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C15H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCNCC3=CC=C2
InChI
InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)13-7-5-6-11-10-17-9-8-12(11)13/h5-7,17H,8-10H2,1-4H3
InChIKey
SHCIXKMGAVTJEE-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.17435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18163 158.8
[M+Na]+ 282.16357 166.6
[M-H]- 258.16707 164.9
[M+NH4]+ 277.20817 178.1
[M+K]+ 298.13751 165.0
[M+H-H2O]+ 242.17161 152.6
[M+HCOO]- 304.17255 173.2
[M+CH3COO]- 318.18820 170.6
[M+Na-2H]- 280.14902 163.5
[M]+ 259.17380 157.1
[M]- 259.17490 157.1
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