CID 5312709

7-tetradecynoic acid

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CCCCCCC#CCCCCCC(=O)O

InChI

InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-6,9-13H2,1H3,(H,15,16)

InChIKey

PSCRCHKVKCIYOU-UHFFFAOYSA-N

Compound name

tetradec-7-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 224.17763 Da
Monoisotopic Mass: 5.1
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]+	225.18491	153.5
[M+Na]+	247.16685	160.1
[M-H]-	223.17035	151.1
[M+NH4]+	242.21145	169.5
[M+K]+	263.14079	156.7
[M+H-H2O]+	207.17489	142.3
[M+HCOO]-	269.17583	168.0
[M+CH3COO]-	283.19148	196.8
[M+Na-2H]-	245.15230	154.7
[M]+	224.17708	151.3
[M]-	224.17818	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe