CID 205862

18874-17-4

Structural Information

Molecular Formula

C₇H₁₃O₂P

SMILES

CCOP1(=O)CC=CC1C

InChI

InChI=1S/C7H13O2P/c1-3-9-10(8)6-4-5-7(10)2/h4-5,7H,3,6H2,1-2H3

InChIKey

SMKDZNSCNRDTKG-UHFFFAOYSA-N

Compound name

1-ethoxy-2-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.06532 Da
Monoisotopic Mass: 0.4
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	131.9
[M+Na]+	183.05454	140.6
[M-H]-	159.05804	134.8
[M+NH4]+	178.09914	157.3
[M+K]+	199.02848	140.0
[M+H-H2O]+	143.06258	125.7
[M+HCOO]-	205.06352	162.1
[M+CH3COO]-	219.07917	176.6
[M+Na-2H]-	181.03999	134.9
[M]+	160.06477	134.7
[M]-	160.06587	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe