CID 5362592

Unii-d07sw1ihhp

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CCCCC/C=C/C=C/C(=O)OCCC

InChI

InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+

InChIKey

RKDOXCGYGLYOBV-BNFZFUHLSA-N

Compound name

propyl (2E,4E)-deca-2,4-dienoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 150
Patents: 210.16199 Da
Monoisotopic Mass: 4.5
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]+	211.16927	153.2
[M+Na]+	233.15121	158.5
[M-H]-	209.15471	152.6
[M+NH4]+	228.19581	172.4
[M+K]+	249.12515	156.1
[M+H-H2O]+	193.15925	147.8
[M+HCOO]-	255.16019	175.0
[M+CH3COO]-	269.17584	188.4
[M+Na-2H]-	231.13666	155.5
[M]+	210.16144	157.2
[M]-	210.16254	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe