CID 89704529

3-hexene, 1-(2-buten-1-yloxy)-, (3z)-

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC/C=C\CCOC/C=C/C

InChI

InChI=1S/C10H18O/c1-3-5-7-8-10-11-9-6-4-2/h4-7H,3,8-10H2,1-2H3/b6-4+,7-5-

InChIKey

SGRPYYYZQSBLEY-GUBXDBFYSA-N

Compound name

(Z)-1-[(E)-but-2-enoxy]hex-3-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 99
Patents: 154.13577 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]+	155.14305	137.6
[M+Na]+	177.12499	148.1
[M+NH4]+	172.16959	145.4
[M+K]+	193.09893	140.5
[M-H]-	153.12849	137.2
[M+Na-2H]-	175.11044	141.1
[M]+	154.13522	138.8
[M]-	154.13632	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe