CID 512124

72304-88-2

Structural Information

Molecular Formula

C₁₃H₁₇O₅P

SMILES

CCOP(=O)(C(=O)OC)OC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C13H17O5P/c1-3-17-19(15,13(14)16-2)18-12-8-7-10-5-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3

InChIKey

KDCMDOOYQRICDI-UHFFFAOYSA-N

Compound name

methyl [2,3-dihydro-1H-inden-5-yloxy(ethoxy)phosphoryl]formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 284.08136 Da
Monoisotopic Mass: 2.7
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]+	285.08864	163.7
[M+Na]+	307.07058	170.1
[M-H]-	283.07408	166.7
[M+NH4]+	302.11518	182.6
[M+K]+	323.04452	169.4
[M+H-H2O]+	267.07862	155.8
[M+HCOO]-	329.07956	189.9
[M+CH3COO]-	343.09521	198.3
[M+Na-2H]-	305.05603	165.3
[M]+	284.08081	169.3
[M]-	284.08191	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe