CID 44256496

8z-decene-4,6-diynoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C/C=C\C#CC#CCCC(=O)O

InChI

InChI=1S/C10H10O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3H,8-9H2,1H3,(H,11,12)/b3-2-

InChIKey

CKFUQXLAOJQWNI-IHWYPQMZSA-N

Compound name

(Z)-dec-8-en-4,6-diynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.06808 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]+	163.07536	148.4
[M+Na]+	185.05730	157.8
[M-H]-	161.06080	148.5
[M+NH4]+	180.10190	161.8
[M+K]+	201.03124	154.1
[M+H-H2O]+	145.06534	135.4
[M+HCOO]-	207.06628	157.0
[M+CH3COO]-	221.08193	203.4
[M+Na-2H]-	183.04275	149.2
[M]+	162.06753	140.4
[M]-	162.06863	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe