CID 15461361

Cis-3-hexenyl tiglate

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

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

InChI

InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+

InChIKey

JNWQKXUWZWKUAY-JQEGGOPCSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1061
Patents: 182.13068 Da
Monoisotopic Mass: 3.1
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]+	183.13796	145.0
[M+Na]+	205.11990	154.2
[M+NH4]+	200.16450	151.4
[M+K]+	221.09384	148.4
[M-H]-	181.12340	143.3
[M+Na-2H]-	203.10535	146.8
[M]+	182.13013	145.5
[M]-	182.13123	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe