CID 5364230

(z)-1-methoxyhex-3-ene

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC/C=C\CCOC

InChI

InChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h4-5H,3,6-7H2,1-2H3/b5-4-

InChIKey

KUPODEXLSGEWFR-PLNGDYQASA-N

Compound name

(Z)-1-methoxyhex-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 114.10446 Da
Monoisotopic Mass: 1.8
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]+	115.111736	124.8
[M+Na]+	137.093678	132.0
[M-H]-	113.097184	125.0
[M+NH4]+	132.138283	147.8
[M+K]+	153.067618	131.6
[M+H-H2O]+	97.101720	120.5
[M+HCOO]-	159.102661	148.8
[M+CH3COO]-	173.118311	170.8
[M+Na-2H]-	135.079126	131.5
[M]+	114.10391142	127.2
[M]-	114.10500858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe