CID 5463904

Ethyl trans-2-decenoate

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CCCCCCC/C=C/C(=O)OCC

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+

InChIKey

GNJARWZWODMTDR-ZHACJKMWSA-N

Compound name

ethyl (E)-dec-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 246
Patents: 198.16199 Da
Monoisotopic Mass: 4.4
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]+	199.16927	149.8
[M+Na]+	221.15121	159.0
[M+NH4]+	216.19581	156.4
[M+K]+	237.12515	152.3
[M-H]-	197.15471	148.5
[M+Na-2H]-	219.13666	151.9
[M]+	198.16144	150.4
[M]-	198.16254	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe