CID 11032508

(z)-2-methoxytetradec-6-enoic acid

Structural Information

Molecular Formula

C₁₅H₂₈O₃

SMILES

CCCCCCC/C=C\CCCC(C(=O)O)OC

InChI

InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h9-10,14H,3-8,11-13H2,1-2H3,(H,16,17)/b10-9-

InChIKey

GEIRCFOBQDWARB-KTKRTIGZSA-N

Compound name

(Z)-2-methoxytetradec-6-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.20386 Da
Monoisotopic Mass: 4.9
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]+	257.211136	167.8
[M+Na]+	279.193078	171.0
[M-H]-	255.196584	165.2
[M+NH4]+	274.237683	184.1
[M+K]+	295.167018	168.7
[M+H-H2O]+	239.201120	161.8
[M+HCOO]-	301.202061	186.3
[M+CH3COO]-	315.217711	196.7
[M+Na-2H]-	277.178526	167.1
[M]+	256.20331142	172.2
[M]-	256.20440858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.