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]+ 237.202036 152.6
[M+Na]+ 259.183978 159.0
[M-H]- 235.187484 160.1
[M+NH4]+ 254.228583 174.0
[M+K]+ 275.157918 158.9
[M+H-H2O]+ 219.192020 148.6
[M+HCOO]- 281.192961 169.1
[M+CH3COO]- 295.208611 191.6
[M+Na-2H]- 257.169426 155.6
[M]+ 236.19421142 150.9
[M]- 236.19530858 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.