CID 23142013

859217-67-7

Structural Information

Molecular Formula
C14H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(C)C
InChI
InChI=1S/C14H25BO2/c1-12(2)9-7-11(8-10-12)15-16-13(3,4)14(5,6)17-15/h7H,8-10H2,1-6H3
InChIKey
JQEUELMRQYUNDS-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

236.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.202036 147.8
[M+Na]+ 259.183978 155.9
[M-H]- 235.187484 156.1
[M+NH4]+ 254.228583 171.3
[M+K]+ 275.157918 156.6
[M+H-H2O]+ 219.192020 144.5
[M+HCOO]- 281.192961 165.7
[M+CH3COO]- 295.208611 192.6
[M+Na-2H]- 257.169426 153.3
[M]+ 236.19421142 148.9
[M]- 236.19530858 148.9
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