CID 5363451

56052-85-8

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCOCC/C=C/C

InChI

InChI=1S/C10H20O/c1-3-5-7-9-11-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+

InChIKey

GBYNWEOXXXGROF-HWKANZROSA-N

Compound name

1-[(E)-pent-3-enoxy]pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 156.15141 Da
Monoisotopic Mass: 3.2
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]+	157.158686	138.7
[M+Na]+	179.140628	144.7
[M-H]-	155.144134	138.4
[M+NH4]+	174.185233	160.1
[M+K]+	195.114568	143.5
[M+H-H2O]+	139.148670	133.8
[M+HCOO]-	201.149611	161.7
[M+CH3COO]-	215.165261	179.9
[M+Na-2H]-	177.126076	143.8
[M]+	156.15086142	142.3
[M]-	156.15195858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe