CID 69474

Tripentyl orthoformate

Structural Information

Molecular Formula

C₁₆H₃₄O₃

SMILES

CCCCCOC(OCCCCC)OCCCCC

InChI

InChI=1S/C16H34O3/c1-4-7-10-13-17-16(18-14-11-8-5-2)19-15-12-9-6-3/h16H,4-15H2,1-3H3

InChIKey

NRRGKWUTVHJHCS-UHFFFAOYSA-N

Compound name

1-(dipentoxymethoxy)pentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 139
Patents: 274.2508 Da
Monoisotopic Mass: 5.4
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]+	275.258076	174.4
[M+Na]+	297.240018	177.2
[M-H]-	273.243524	172.8
[M+NH4]+	292.284623	190.8
[M+K]+	313.213958	176.3
[M+H-H2O]+	257.248060	167.7
[M+HCOO]-	319.249001	194.6
[M+CH3COO]-	333.264651	203.9
[M+Na-2H]-	295.225466	174.9
[M]+	274.25025142	183.3
[M]-	274.25134858	183.3

Literature stripe

literature stripe

Patent stripe

patents stripe