CID 84299

Bis(2-butoxyethyl) hydrogen phosphate

Structural Information

Molecular Formula

C₁₂H₂₇O₆P

SMILES

CCCCOCCOP(=O)(O)OCCOCCCC

InChI

InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)

InChIKey

NNXWIPHZHATIFE-UHFFFAOYSA-N

Compound name

bis(2-butoxyethyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 185
Patents: 298.1545 Da
Monoisotopic Mass: 1.2
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]+	299.16178	170.6
[M+Na]+	321.14372	176.4
[M+NH4]+	316.18832	174.1
[M+K]+	337.11766	172.8
[M-H]-	297.14722	165.9
[M+Na-2H]-	319.12917	169.7
[M]+	298.15395	169.5
[M]-	298.15505	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe