CID 3037994

Tris(7-azabicyclo(4.1.0)heptyl)phosphine oxide

Structural Information

Molecular Formula
C18H30N3OP
SMILES
C1CCC2C(C1)N2P(=O)(N3C4C3CCCC4)N5C6C5CCCC6
InChI
InChI=1S/C18H30N3OP/c22-23(19-13-7-1-2-8-14(13)19,20-15-9-3-4-10-16(15)20)21-17-11-5-6-12-18(17)21/h13-18H,1-12H2
InChIKey
LFVMXYUMHFKZEU-UHFFFAOYSA-N
Compound name
7-[bis(7-azabicyclo[4.1.0]heptan-7-yl)phosphoryl]-7-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.21265 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21993 216.9
[M+Na]+ 358.20187 217.3
[M-H]- 334.20537 218.7
[M+NH4]+ 353.24647 213.3
[M+K]+ 374.17581 214.9
[M+H-H2O]+ 318.20991 207.7
[M+HCOO]- 380.21085 221.7
[M+CH3COO]- 394.22650 216.5
[M+Na-2H]- 356.18732 208.9
[M]+ 335.21210 213.8
[M]- 335.21320 213.8
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

No patent data available for this compound.