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

131
Patents

316.29373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.30101 221.7
[M+Na]+ 339.28295 221.7
[M-H]- 315.28645 219.0
[M+NH4]+ 334.32755 233.3
[M+K]+ 355.25689 222.4
[M+H-H2O]+ 299.29099 207.4
[M+HCOO]- 361.29193 218.8
[M+CH3COO]- 375.30758 224.2
[M+Na-2H]- 337.26840 220.7
[M]+ 316.29318 239.5
[M]- 316.29428 239.5
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