CID 12066515

172512-85-5

Structural Information

Molecular Formula
C14H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCCCC2
InChI
InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3/b11-10+
InChIKey
GPNZRYQKISBKHG-ZHACJKMWSA-N
Compound name
2-[(E)-2-cyclohexylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

236.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20204 154.0
[M+Na]+ 259.18398 159.4
[M-H]- 235.18748 161.1
[M+NH4]+ 254.22858 175.0
[M+K]+ 275.15792 159.3
[M+H-H2O]+ 219.19202 149.6
[M+HCOO]- 281.19296 170.5
[M+CH3COO]- 295.20861 190.4
[M+Na-2H]- 257.16943 157.4
[M]+ 236.19421 151.8
[M]- 236.19531 151.8
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

patents stripe