CID 120333

694-66-6

Structural Information

Molecular Formula
C5H9O2P
SMILES
COP1(=O)CCC=C1
InChI
InChI=1S/C5H9O2P/c1-7-8(6)4-2-3-5-8/h2,4H,3,5H2,1H3
InChIKey
FGGCRBVIYPVBRV-UHFFFAOYSA-N
Compound name
1-methoxy-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

132.03401 Da
Monoisotopic Mass

-0.1
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

literature stripe

Patent stripe

patents stripe