CID 114509

9-phosphabicyclo[4.2.1]nonane

Structural Information

Molecular Formula
C8H15P
SMILES
C1CCC2CCC(C1)P2
InChI
InChI=1S/C8H15P/c1-2-4-8-6-5-7(3-1)9-8/h7-9H,1-6H2
InChIKey
RTWRUXIOIPQRRE-UHFFFAOYSA-N
Compound name
9-phosphabicyclo[4.2.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

378
Patents

142.09114 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.09842 130.1
[M+Na]+ 165.08036 133.4
[M-H]- 141.08386 132.2
[M+NH4]+ 160.12496 153.5
[M+K]+ 181.05430 134.2
[M+H-H2O]+ 125.08840 124.3
[M+HCOO]- 187.08934 153.6
[M+CH3COO]- 201.10499 177.8
[M+Na-2H]- 163.06581 132.1
[M]+ 142.09059 123.7
[M]- 142.09169 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe