CID 20539931

1lambda5-phospholan-1-one

Structural Information

Molecular Formula
C4H8OP
SMILES
C1CC[P+](=O)C1
InChI
InChI=1S/C4H8OP/c5-6-3-1-2-4-6/h1-4H2/q+1
InChIKey
FMXSEXLKXMOCJO-UHFFFAOYSA-N
Compound name
phospholan-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

103.03128 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.03856 119.4
[M+Na]+ 126.02050 126.5
[M-H]- 102.02400 122.0
[M+NH4]+ 121.06510 144.3
[M+K]+ 141.99444 121.1
[M+H-H2O]+ 86.028540 115.5
[M+HCOO]- 148.02948 148.6
[M+CH3COO]- 162.04513 158.6
[M+Na-2H]- 124.00595 124.7
[M]+ 103.03073 116.3
[M]- 103.03183 116.3
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