CID 173028

68814-09-5

Structural Information

Molecular Formula

C₈H₁₉O₆P

SMILES

CCCCOCCOCCOP(=O)(O)O

InChI

InChI=1S/C8H19O6P/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H2,9,10,11)

InChIKey

LKPWWJFRGYSIFA-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)ethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 47
Patents: 242.09192 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]+	243.09920	156.3
[M+Na]+	265.08114	161.6
[M-H]-	241.08464	152.1
[M+NH4]+	260.12574	172.9
[M+K]+	281.05508	161.6
[M+H-H2O]+	225.08918	148.9
[M+HCOO]-	287.09012	181.5
[M+CH3COO]-	301.10577	186.6
[M+Na-2H]-	263.06659	159.0
[M]+	242.09137	163.6
[M]-	242.09247	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe