CID 5463936

1-ethoxy-3-methyl-2-butene

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCOCC=C(C)C

InChI

InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3

InChIKey

HPMSQLYFMOOLKS-UHFFFAOYSA-N

Compound name

1-ethoxy-3-methylbut-2-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 152
Patents: 114.10446 Da
Monoisotopic Mass: 1.9
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]+	115.11174	125.2
[M+Na]+	137.09368	132.2
[M-H]-	113.09718	125.6
[M+NH4]+	132.13828	148.2
[M+K]+	153.06762	132.2
[M+H-H2O]+	97.101720	121.0
[M+HCOO]-	159.10266	148.2
[M+CH3COO]-	173.11831	171.5
[M+Na-2H]-	135.07913	130.7
[M]+	114.10391	126.9
[M]-	114.10501	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe