CID 124252501

2082683-70-1

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COCC3)C=C2
InChI
InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)13-6-5-12-10-17-8-7-11(12)9-13/h5-6,9H,7-8,10H2,1-4H3
InChIKey
WXVWLMJYNSAUFK-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isochromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.165676 156.6
[M+Na]+ 283.147618 164.9
[M-H]- 259.151124 166.1
[M+NH4]+ 278.192223 176.5
[M+K]+ 299.121558 165.7
[M+H-H2O]+ 243.155660 151.6
[M+HCOO]- 305.156601 173.0
[M+CH3COO]- 319.172251 169.8
[M+Na-2H]- 281.133066 162.9
[M]+ 260.15785142 158.3
[M]- 260.15894858 158.3
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