CID 5282854

Alepric acid

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

C1CC(C=C1)CCCCCCCCC(=O)O

InChI

InChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,11-12H2,(H,15,16)

InChIKey

DTHSUAKYTFUSQU-UHFFFAOYSA-N

Compound name

9-cyclopent-2-en-1-ylnonanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 224.17763 Da
Monoisotopic Mass: 4.8
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]+	225.18491	158.3
[M+Na]+	247.16685	161.9
[M-H]-	223.17035	159.0
[M+NH4]+	242.21145	177.3
[M+K]+	263.14079	159.1
[M+H-H2O]+	207.17489	152.1
[M+HCOO]-	269.17583	178.5
[M+CH3COO]-	283.19148	188.2
[M+Na-2H]-	245.15230	158.6
[M]+	224.17708	158.8
[M]-	224.17818	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe