CID 56923641

1185836-98-9

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OCC3CC3
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-6-8-14(13)18-11-12-9-10-12/h5-8,12H,9-11H2,1-4H3
InChIKey
VQJIGAHQIKKQPK-UHFFFAOYSA-N
Compound name
2-[2-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.181276 157.5
[M+Na]+ 297.163218 167.1
[M-H]- 273.166724 169.6
[M+NH4]+ 292.207823 172.5
[M+K]+ 313.137158 168.2
[M+H-H2O]+ 257.171260 152.6
[M+HCOO]- 319.172201 177.0
[M+CH3COO]- 333.187851 201.0
[M+Na-2H]- 295.148666 162.7
[M]+ 274.17345142 164.5
[M]- 274.17454858 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

patents stripe