CID 3864964

87100-28-5

Structural Information

Molecular Formula
C13H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey
YCNQPAVKQPLZRS-UHFFFAOYSA-N
Compound name
2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

710
Patents

218.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15509 145.0
[M+Na]+ 241.13703 153.7
[M-H]- 217.14053 153.6
[M+NH4]+ 236.18163 167.1
[M+K]+ 257.11097 154.0
[M+H-H2O]+ 201.14507 140.6
[M+HCOO]- 263.14601 166.2
[M+CH3COO]- 277.16166 187.7
[M+Na-2H]- 239.12248 151.9
[M]+ 218.14726 147.7
[M]- 218.14836 147.7
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