CID 82043

Tris[2-(dicyclohexylamino)ethyl] borate

Structural Information

Molecular Formula
C42H78BN3O3
SMILES
B(OCCN(C1CCCCC1)C2CCCCC2)(OCCN(C3CCCCC3)C4CCCCC4)OCCN(C5CCCCC5)C6CCCCC6
InChI
InChI=1S/C42H78BN3O3/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)31-34-47-43(48-35-32-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)49-36-33-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h37-42H,1-36H2
InChIKey
CLLRNFFLFVAFFV-UHFFFAOYSA-N
Compound name
tris[2-(dicyclohexylamino)ethyl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

683.61365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.62093 253.9
[M+Na]+ 706.60287 231.5
[M-H]- 682.60637 262.3
[M+NH4]+ 701.64747 248.1
[M+K]+ 722.57681 230.4
[M+H-H2O]+ 666.61091 236.9
[M+HCOO]- 728.61185 251.0
[M+CH3COO]- 742.62750 285.3
[M+Na-2H]- 704.58832 238.9
[M]+ 683.61310 231.2
[M]- 683.61420 231.2
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

patents stripe