CID 134128661

2152654-65-2

Structural Information

Molecular Formula
C17H23BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(CC3)C(=O)OC
InChI
InChI=1S/C17H23BO5/c1-16(2)17(3,4)23-18(22-16)12-7-9-13-11(10-12)6-8-14(21-13)15(19)20-5/h7,9-10,14H,6,8H2,1-5H3
InChIKey
XVAVBWTVGGULEX-UHFFFAOYSA-N
Compound name
methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.16385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17113 170.2
[M+Na]+ 341.15307 178.2
[M-H]- 317.15657 179.8
[M+NH4]+ 336.19767 187.8
[M+K]+ 357.12701 179.9
[M+H-H2O]+ 301.16111 165.4
[M+HCOO]- 363.16205 185.4
[M+CH3COO]- 377.17770 206.9
[M+Na-2H]- 339.13852 174.3
[M]+ 318.16330 174.6
[M]- 318.16440 174.6
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