CID 72221108

2408390-58-7

Structural Information

Molecular Formula
C14H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCC(C2)(C)C
InChI
InChI=1S/C14H25BO2/c1-12(2)9-7-8-11(10-12)15-16-13(3,4)14(5,6)17-15/h8H,7,9-10H2,1-6H3
InChIKey
FEKWCSASKKVYKT-UHFFFAOYSA-N
Compound name
2-(5,5-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20204 147.8
[M+Na]+ 259.18398 155.9
[M-H]- 235.18748 156.1
[M+NH4]+ 254.22858 171.3
[M+K]+ 275.15792 156.6
[M+H-H2O]+ 219.19202 144.5
[M+HCOO]- 281.19296 165.7
[M+CH3COO]- 295.20861 192.6
[M+Na-2H]- 257.16943 153.3
[M]+ 236.19421 148.9
[M]- 236.19531 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