CID 80880

Diamyl amylphosphonate

Structural Information

Molecular Formula

C₁₅H₃₃O₃P

SMILES

CCCCCOP(=O)(CCCCC)OCCCCC

InChI

InChI=1S/C15H33O3P/c1-4-7-10-13-17-19(16,15-12-9-6-3)18-14-11-8-5-2/h4-15H2,1-3H3

InChIKey

QMOMLBXAJYQNCP-UHFFFAOYSA-N

Compound name

1-[pentoxy(pentyl)phosphoryl]oxypentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 264
Patents: 292.21674 Da
Monoisotopic Mass: 4.9
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]+	293.22402	181.2
[M+Na]+	315.20596	185.0
[M-H]-	291.20946	178.8
[M+NH4]+	310.25056	197.6
[M+K]+	331.17990	183.3
[M+H-H2O]+	275.21400	172.8
[M+HCOO]-	337.21494	206.5
[M+CH3COO]-	351.23059	206.9
[M+Na-2H]-	313.19141	180.6
[M]+	292.21619	190.9
[M]-	292.21729	190.9

Literature stripe

literature stripe

Patent stripe

patents stripe