CID 6365784

(e)-2-decen-4-ynoic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCCCCC#C/C=C/C(=O)O

InChI

InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-5H2,1H3,(H,11,12)/b9-8+

InChIKey

LHIWBBKVOUBCLM-CMDGGOBGSA-N

Compound name

(E)-dec-2-en-4-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 3.1
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]+	167.106656	137.9
[M+Na]+	189.088598	146.3
[M-H]-	165.092104	136.2
[M+NH4]+	184.133203	155.9
[M+K]+	205.062538	143.2
[M+H-H2O]+	149.096640	127.4
[M+HCOO]-	211.097581	153.7
[M+CH3COO]-	225.113231	184.6
[M+Na-2H]-	187.074046	140.8
[M]+	166.09883142	133.6
[M]-	166.09992858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.