CID 53421472

942921-84-8

Structural Information

Molecular Formula
C16H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCN(C3)C)C=C2
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)14-7-6-12-8-9-18(5)11-13(12)10-14/h6-7,10H,8-9,11H2,1-5H3
InChIKey
BMMOBACHKWUQPZ-UHFFFAOYSA-N
Compound name
2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

273.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19728 161.7
[M+Na]+ 296.17922 170.4
[M-H]- 272.18272 169.4
[M+NH4]+ 291.22382 181.4
[M+K]+ 312.15316 169.4
[M+H-H2O]+ 256.18726 155.4
[M+HCOO]- 318.18820 177.3
[M+CH3COO]- 332.20385 174.2
[M+Na-2H]- 294.16467 165.7
[M]+ 273.18945 162.5
[M]- 273.19055 162.5
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