CID 164643642

2-{[(1z)-3,3-dimethylcyclohexylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C\2/CCCC(C2)(C)C
InChI
InChI=1S/C15H27BO2/c1-13(2)9-7-8-12(10-13)11-16-17-14(3,4)15(5,6)18-16/h11H,7-10H2,1-6H3/b12-11-
InChIKey
PNLRYXCANKXDDK-QXMHVHEDSA-N
Compound name
2-[(Z)-(3,3-dimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.2104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21768 153.0
[M+Na]+ 273.19962 160.0
[M-H]- 249.20312 160.8
[M+NH4]+ 268.24422 175.9
[M+K]+ 289.17356 160.1
[M+H-H2O]+ 233.20766 149.8
[M+HCOO]- 295.20860 169.3
[M+CH3COO]- 309.22425 194.5
[M+Na-2H]- 271.18507 157.1
[M]+ 250.20985 152.2
[M]- 250.21095 152.2
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.