CID 134818028

1477494-87-3

Structural Information

Molecular Formula

C₁₈H₃₉O₈P

SMILES

CCCCOCCOP(=O)(OCCOCCCC)OCCOCCC(C)O

InChI

InChI=1S/C18H39O8P/c1-4-6-9-21-12-15-24-27(20,25-16-13-22-10-7-5-2)26-17-14-23-11-8-18(3)19/h18-19H,4-17H2,1-3H3

InChIKey

ZYWDPVGRFHQPGL-UHFFFAOYSA-N

Compound name

bis(2-butoxyethyl) 2-(3-hydroxybutoxy)ethyl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 414.23825 Da
Monoisotopic Mass: 1.7
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]+	415.245526	206.7
[M+Na]+	437.227468	209.8
[M-H]-	413.230974	198.8
[M+NH4]+	432.272073	209.6
[M+K]+	453.201408	203.9
[M+H-H2O]+	397.235510	199.5
[M+HCOO]-	459.236451	220.4
[M+CH3COO]-	473.252101	223.6
[M+Na-2H]-	435.212916	192.8
[M]+	414.23770142	206.5
[M]-	414.23879858	206.5

Literature stripe

literature stripe

Patent stripe

patents stripe