CID 25419069

29269-17-8

Structural Information

Molecular Formula

C₁₂H₂₁O₆P

SMILES

COC(=O)CCP(CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C12H21O6P/c1-16-10(13)4-7-19(8-5-11(14)17-2)9-6-12(15)18-3/h4-9H2,1-3H3

InChIKey

GCGYESORUFVNSP-UHFFFAOYSA-N

Compound name

methyl 3-bis(3-methoxy-3-oxopropyl)phosphanylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 292.10757 Da
Monoisotopic Mass: -0.6
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]+	293.11485	169.9
[M+Na]+	315.09679	174.2
[M-H]-	291.10029	168.2
[M+NH4]+	310.14139	185.2
[M+K]+	331.07073	175.3
[M+H-H2O]+	275.10483	161.6
[M+HCOO]-	337.10577	195.0
[M+CH3COO]-	351.12142	202.7
[M+Na-2H]-	313.08224	165.8
[M]+	292.10702	179.0
[M]-	292.10812	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe