CID 72211562

2-(2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C3CC3
InChI
InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-8-6-5-7-12(13)11-9-10-11/h5-8,11H,9-10H2,1-4H3
InChIKey
UBDGFSVRSANTJW-UHFFFAOYSA-N
Compound name
2-(2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

244.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17075 149.4
[M+Na]+ 267.15269 159.6
[M-H]- 243.15619 161.7
[M+NH4]+ 262.19729 165.6
[M+K]+ 283.12663 160.5
[M+H-H2O]+ 227.16073 144.7
[M+HCOO]- 289.16167 169.1
[M+CH3COO]- 303.17732 163.4
[M+Na-2H]- 265.13814 155.0
[M]+ 244.16292 154.6
[M]- 244.16402 154.6
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