CID 101097

59637-41-1

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=CCOCCC(=C)C)C

InChI

InChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h6H,1,5,7-8H2,2-4H3

InChIKey

SBKPSGLYGQUMEX-UHFFFAOYSA-N

Compound name

3-methyl-1-(3-methylbut-3-enoxy)but-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.13577 Da
Monoisotopic Mass: 3.3
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	138.1
[M+Na]+	177.12499	147.9
[M+NH4]+	172.16959	145.6
[M+K]+	193.09893	141.9
[M-H]-	153.12849	137.3
[M+Na-2H]-	175.11044	140.9
[M]+	154.13522	139.0
[M]-	154.13632	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe