CID 165770124

2-(2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C17H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(CC3)(C)C
InChI
InChI=1S/C17H25BO3/c1-15(2)10-9-12-11-13(7-8-14(12)19-15)18-20-16(3,4)17(5,6)21-18/h7-8,11H,9-10H2,1-6H3
InChIKey
LNPFVIQRAIJAQI-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19695 161.4
[M+Na]+ 311.17889 170.9
[M-H]- 287.18239 171.4
[M+NH4]+ 306.22349 182.6
[M+K]+ 327.15283 171.6
[M+H-H2O]+ 271.18693 157.0
[M+HCOO]- 333.18787 177.2
[M+CH3COO]- 347.20352 174.8
[M+Na-2H]- 309.16434 167.7
[M]+ 288.18912 164.8
[M]- 288.19022 164.8
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

No patent data available for this compound.