CID 74788596

1591906-87-4

Structural Information

Molecular Formula
C15H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(C)C
InChI
InChI=1S/C15H27BO2/c1-11(2)12-7-9-13(10-8-12)16-17-14(3,4)15(5,6)18-16/h9,11-12H,7-8,10H2,1-6H3
InChIKey
ACYGRPVWJQOCHH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

250.2104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.217676 156.6
[M+Na]+ 273.199618 163.0
[M-H]- 249.203124 164.4
[M+NH4]+ 268.244223 177.4
[M+K]+ 289.173558 163.6
[M+H-H2O]+ 233.207660 152.5
[M+HCOO]- 295.208601 173.0
[M+CH3COO]- 309.224251 196.6
[M+Na-2H]- 271.185066 158.8
[M]+ 250.20985142 156.8
[M]- 250.21094858 156.8
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