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]+ 251.21768 156.6
[M+Na]+ 273.19962 163.0
[M-H]- 249.20312 164.4
[M+NH4]+ 268.24422 177.4
[M+K]+ 289.17356 163.6
[M+H-H2O]+ 233.20766 152.5
[M+HCOO]- 295.20860 173.0
[M+CH3COO]- 309.22425 196.6
[M+Na-2H]- 271.18507 158.8
[M]+ 250.20985 156.8
[M]- 250.21095 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