CID 164643643

4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CCC(CC2)C
InChI
InChI=1S/C14H25BO2/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15/h10-11H,6-9H2,1-5H3
InChIKey
GFKJFPVZVMFTOY-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20204 152.6
[M+Na]+ 259.18398 159.0
[M-H]- 235.18748 160.1
[M+NH4]+ 254.22858 174.0
[M+K]+ 275.15792 158.9
[M+H-H2O]+ 219.19202 148.6
[M+HCOO]- 281.19296 169.1
[M+CH3COO]- 295.20861 191.6
[M+Na-2H]- 257.16943 155.6
[M]+ 236.19421 150.9
[M]- 236.19531 150.9
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

No patent data available for this compound.