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
2
Annotation Hits

0
References

0
Patents

683.61365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.620926 253.9
[M+Na]+ 706.602868 231.5
[M-H]- 682.606374 262.3
[M+NH4]+ 701.647473 248.1
[M+K]+ 722.576808 230.4
[M+H-H2O]+ 666.610910 236.9
[M+HCOO]- 728.611851 251.0
[M+CH3COO]- 742.627501 285.3
[M+Na-2H]- 704.588316 238.9
[M]+ 683.61310142 231.2
[M]- 683.61419858 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