CID 11042960

149777-84-4

Structural Information

Molecular Formula
C15H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)C
InChI
InChI=1S/C15H21BO2/c1-12-6-8-13(9-7-12)10-11-16-17-14(2,3)15(4,5)18-16/h6-11H,1-5H3/b11-10+
InChIKey
HHBWKASJNTZJLB-ZHACJKMWSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

244.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17075 151.9
[M+Na]+ 267.15269 161.1
[M-H]- 243.15619 160.5
[M+NH4]+ 262.19729 173.3
[M+K]+ 283.12663 160.3
[M+H-H2O]+ 227.16073 147.6
[M+HCOO]- 289.16167 172.6
[M+CH3COO]- 303.17732 193.4
[M+Na-2H]- 265.13814 157.2
[M]+ 244.16292 155.0
[M]- 244.16402 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe