CID 5114394

99438-28-5

Structural Information

Molecular Formula
C21H37BO
SMILES
B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)OC
InChI
InChI=1S/C21H37BO/c1-12-16-8-14(20(16,3)4)10-18(12)22(23-7)19-11-15-9-17(13(19)2)21(15,5)6/h12-19H,8-11H2,1-7H3
InChIKey
IAQXEQYLQNNXJC-UHFFFAOYSA-N
Compound name
methoxy-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

316.29373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.30101 188.8
[M+Na]+ 339.28295 189.2
[M+NH4]+ 334.32755 194.5
[M+K]+ 355.25689 181.5
[M-H]- 315.28645 182.5
[M+Na-2H]- 337.26840 178.6
[M]+ 316.29318 185.4
[M]- 316.29428 185.4
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