CID 199924

3-phospholene, 1-propoxy-, 1-oxide

Structural Information

Molecular Formula

C₇H₁₃O₂P

SMILES

CCCOP1(=O)CC=CC1

InChI

InChI=1S/C7H13O2P/c1-2-5-9-10(8)6-3-4-7-10/h3-4H,2,5-7H2,1H3

InChIKey

JXPXGRUXZGPFPS-UHFFFAOYSA-N

Compound name

1-propoxy-2,5-dihydro-1lambda5-phosphole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.06532 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.07260	133.4
[M+Na]+	183.05454	141.1
[M-H]-	159.05804	135.8
[M+NH4]+	178.09914	158.4
[M+K]+	199.02848	140.5
[M+H-H2O]+	143.06258	126.7
[M+HCOO]-	205.06352	163.6
[M+CH3COO]-	219.07917	175.5
[M+Na-2H]-	181.03999	136.8
[M]+	160.06477	135.8
[M]-	160.06587	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe