CID 82186

Brn 2417137

Structural Information

Molecular Formula
C15H36B3N3
SMILES
B1(N(B(N(B(N1CC)C(C)C)CC)C(C)C)CC)C(C)C
InChI
InChI=1S/C15H36B3N3/c1-10-19-16(13(4)5)20(11-2)18(15(8)9)21(12-3)17(19)14(6)7/h13-15H,10-12H2,1-9H3
InChIKey
PKXOCYPVSCTEBP-UHFFFAOYSA-N
Compound name
1,3,5-triethyl-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-triazatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.31885 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.32613 175.5
[M+Na]+ 314.30807 180.6
[M-H]- 290.31157 174.2
[M+NH4]+ 309.35267 188.4
[M+K]+ 330.28201 178.4
[M+H-H2O]+ 274.31611 167.7
[M+HCOO]- 336.31705 186.1
[M+CH3COO]- 350.33270 214.3
[M+Na-2H]- 312.29352 169.7
[M]+ 291.31830 176.1
[M]- 291.31940 176.1
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