CID 79662200

1366577-88-9

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3CC3
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)13-7-9-14(10-8-13)18-11-12-5-6-12/h7-10,12H,5-6,11H2,1-4H3
InChIKey
NEQVQJCPHVVIFO-UHFFFAOYSA-N
Compound name
2-[4-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 157.5
[M+Na]+ 297.16322 167.1
[M-H]- 273.16672 169.6
[M+NH4]+ 292.20782 172.5
[M+K]+ 313.13716 168.2
[M+H-H2O]+ 257.17126 152.6
[M+HCOO]- 319.17220 177.0
[M+CH3COO]- 333.18785 201.0
[M+Na-2H]- 295.14867 162.7
[M]+ 274.17345 164.5
[M]- 274.17455 164.5
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

No patent data available for this compound.