CID 10923454

Methyl (3e)-hexa-3,5-dienoate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

COC(=O)C/C=C/C=C

InChI

InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-5H,1,6H2,2H3/b5-4+

InChIKey

FFACAHMRMSJQDK-SNAWJCMRSA-N

Compound name

methyl (3E)-hexa-3,5-dienoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 126.06808 Da
Monoisotopic Mass: 1.5
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]+	127.07536	127.1
[M+Na]+	149.05730	137.4
[M+NH4]+	144.10190	134.3
[M+K]+	165.03124	131.8
[M-H]-	125.06080	125.8
[M+Na-2H]-	147.04275	130.4
[M]+	126.06753	127.9
[M]-	126.06863	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe