CID 38336

39770-52-0

Structural Information

Molecular Formula

C₁₂H₁₇O₃P

SMILES

CC1(CC(P(=O)(O1)C2=CC=CC=C2)(C)O)C

InChI

InChI=1S/C12H17O3P/c1-11(2)9-12(3,13)16(14,15-11)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3

InChIKey

IVLUAGYBDRGAPC-UHFFFAOYSA-N

Compound name

3,5,5-trimethyl-2-oxo-2-phenyl-1,2lambda5-oxaphospholan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 240.09154 Da
Monoisotopic Mass: 1.4
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]+	241.098816	148.6
[M+Na]+	263.080758	158.1
[M-H]-	239.084264	154.5
[M+NH4]+	258.125363	172.7
[M+K]+	279.054698	156.9
[M+H-H2O]+	223.088800	142.7
[M+HCOO]-	285.089741	175.1
[M+CH3COO]-	299.105391	187.8
[M+Na-2H]-	261.066206	152.9
[M]+	240.09099142	150.7
[M]-	240.09208858	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.