CID 16220110

65405-80-3

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC/C=C\CCOC(=O)/C=C/C

InChI

InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+

InChIKey

KITGYVIOYOCIIE-QNMAEOQASA-N

Compound name

[(Z)-hex-3-enyl] (E)-but-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 197
Patents: 168.11504 Da
Monoisotopic Mass: 2.7
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]+	169.122316	139.3
[M+Na]+	191.104258	145.9
[M-H]-	167.107764	139.3
[M+NH4]+	186.148863	160.2
[M+K]+	207.078198	144.3
[M+H-H2O]+	151.112300	134.5
[M+HCOO]-	213.113241	162.1
[M+CH3COO]-	227.128891	179.3
[M+Na-2H]-	189.089706	143.2
[M]+	168.11449142	142.1
[M]-	168.11558858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe