CID 13204728

76110-78-6

Structural Information

Molecular Formula
C16H21BO2
SMILES
B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C4=CC=CC=C4
InChI
InChI=1S/C16H21BO2/c1-15(2)11-9-13(15)16(3)14(10-11)18-17(19-16)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13-,14+,16-/m0/s1
InChIKey
OZQWJKOXOILFRR-ZIEJDFEHSA-N
Compound name
(1S,2S,6R,8S)-2,9,9-trimethyl-4-phenyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17073 157.1
[M+Na]+ 279.15267 163.4
[M-H]- 255.15617 163.5
[M+NH4]+ 274.19727 175.4
[M+K]+ 295.12661 164.7
[M+H-H2O]+ 239.16071 147.5
[M+HCOO]- 301.16165 168.5
[M+CH3COO]- 315.17730 168.7
[M+Na-2H]- 277.13812 165.2
[M]+ 256.16290 169.5
[M]- 256.16400 169.5
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

No patent data available for this compound.