CID 132967161

1477494-86-2

Structural Information

Molecular Formula

C₁₄H₃₁O₇P

SMILES

CCCCOCCOP(=O)(OCCO)OCCOCCCC

InChI

InChI=1S/C14H31O7P/c1-3-5-8-17-11-13-20-22(16,19-10-7-15)21-14-12-18-9-6-4-2/h15H,3-14H2,1-2H3

InChIKey

UQSRKBXTCXVEJL-UHFFFAOYSA-N

Compound name

bis(2-butoxyethyl) 2-hydroxyethyl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 342.18073 Da
Monoisotopic Mass: 1.0
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]+	343.188006	184.9
[M+Na]+	365.169948	188.0
[M-H]-	341.173454	181.0
[M+NH4]+	360.214553	188.7
[M+K]+	381.143888	188.0
[M+H-H2O]+	325.177990	175.9
[M+HCOO]-	387.178931	205.7
[M+CH3COO]-	401.194581	209.2
[M+Na-2H]-	363.155396	185.4
[M]+	342.18018142	197.9
[M]-	342.18127858	197.9

Literature stripe

literature stripe

Patent stripe

patents stripe