CID 84816

15171-48-9

Structural Information

Molecular Formula

SMILES

CP1(=O)CCC(=O)O1

InChI

InChI=1S/C4H7O3P/c1-8(6)3-2-4(5)7-8/h2-3H2,1H3

InChIKey

LFMAOMQWCSTELR-UHFFFAOYSA-N

Compound name

2-methyl-2-oxo-1,2lambda5-oxaphospholan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 134.01328 Da
Monoisotopic Mass: -0.8
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]+	135.02056	120.9
[M+Na]+	157.00250	130.1
[M-H]-	133.00600	124.5
[M+NH4]+	152.04710	145.9
[M+K]+	172.97644	131.3
[M+H-H2O]+	117.01054	115.4
[M+HCOO]-	179.01148	150.2
[M+CH3COO]-	193.02713	168.9
[M+Na-2H]-	154.98795	125.8
[M]+	134.01273	122.6
[M]-	134.01383	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe