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

163
Patents

255.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15035 154.9
[M+Na]+ 278.13229 165.3
[M-H]- 254.13579 163.3
[M+NH4]+ 273.17689 175.3
[M+K]+ 294.10623 164.2
[M+H-H2O]+ 238.14033 148.4
[M+HCOO]- 300.14127 173.8
[M+CH3COO]- 314.15692 168.6
[M+Na-2H]- 276.11774 162.0
[M]+ 255.14252 157.9
[M]- 255.14362 157.9
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