CID 2760594

685103-98-4

Structural Information

Molecular Formula
C15H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC3=CC=CC=C23
InChI
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
InChIKey
LOMKRPABAXIQJL-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

255.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15035 155.3
[M+Na]+ 278.13229 170.1
[M+NH4]+ 273.17689 167.4
[M+K]+ 294.10623 161.4
[M-H]- 254.13579 162.2
[M+Na-2H]- 276.11774 164.5
[M]+ 255.14252 160.0
[M]- 255.14362 160.0
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