CID 110252

Qun3nvf7gu

Structural Information

Molecular Formula

C₁₀H₂₃O₅P

SMILES

CCCCC(CC)COCCOP(=O)(O)O

InChI

InChI=1S/C10H23O5P/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)

InChIKey

VUDMTCUUMKXFTD-UHFFFAOYSA-N

Compound name

2-(2-ethylhexoxy)ethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 254.12831 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]+	255.13559	164.2
[M+Na]+	277.11753	168.6
[M-H]-	253.12103	159.8
[M+NH4]+	272.16213	180.4
[M+K]+	293.09147	168.0
[M+H-H2O]+	237.12557	156.8
[M+HCOO]-	299.12651	187.5
[M+CH3COO]-	313.14216	191.3
[M+Na-2H]-	275.10298	164.3
[M]+	254.12776	170.2
[M]-	254.12886	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe