CID 3086064

Isoamyl 4-pentenoate

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(C)CCOC(=O)CCC=C

InChI

InChI=1S/C10H18O2/c1-4-5-6-10(11)12-8-7-9(2)3/h4,9H,1,5-8H2,2-3H3

InChIKey

ZQWYFZUFXOBFOF-UHFFFAOYSA-N

Compound name

3-methylbutyl pent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.13068 Da
Monoisotopic Mass: 2.8
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]+	171.13796	141.0
[M+Na]+	193.11990	150.3
[M+NH4]+	188.16450	147.9
[M+K]+	209.09384	144.9
[M-H]-	169.12340	139.6
[M+Na-2H]-	191.10535	143.3
[M]+	170.13013	141.6
[M]-	170.13123	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe