CID 21023136

Ns00066405

Structural Information

Molecular Formula

C₄H₁₁O₅P

SMILES

CCOCCOP(=O)(O)O

InChI

InChI=1S/C4H11O5P/c1-2-8-3-4-9-10(5,6)7/h2-4H2,1H3,(H2,5,6,7)

InChIKey

WSOZRQWKNKJOIA-UHFFFAOYSA-N

Compound name

2-ethoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 170.03441 Da
Monoisotopic Mass: -1.3
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]+	171.041686	135.6
[M+Na]+	193.023628	142.8
[M-H]-	169.027134	132.2
[M+NH4]+	188.068233	155.2
[M+K]+	208.997568	143.2
[M+H-H2O]+	153.031670	129.3
[M+HCOO]-	215.032611	161.9
[M+CH3COO]-	229.048261	172.4
[M+Na-2H]-	191.009076	140.1
[M]+	170.03386142	140.0
[M]-	170.03495858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe