CID 120332

1-methoxy-2,5-dihydro-1h-phosphole 1-oxide

Structural Information

Molecular Formula
C5H9O2P
SMILES
COP1(=O)CC=CC1
InChI
InChI=1S/C5H9O2P/c1-7-8(6)4-2-3-5-8/h2-3H,4-5H2,1H3
InChIKey
RWGFUFPRLAXKSB-UHFFFAOYSA-N
Compound name
1-methoxy-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

132.03401 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04129 123.8
[M+Na]+ 155.02323 132.3
[M-H]- 131.02673 126.6
[M+NH4]+ 150.06783 149.9
[M+K]+ 170.99717 132.3
[M+H-H2O]+ 115.03127 117.5
[M+HCOO]- 177.03221 154.6
[M+CH3COO]- 191.04786 169.5
[M+Na-2H]- 153.00868 128.3
[M]+ 132.03346 125.5
[M]- 132.03456 125.5
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