CID 24206711

2,4-pentadecadiynoic acid

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CCCCCCCCCCC#CC#CC(=O)O

InChI

InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-10H2,1H3,(H,16,17)

InChIKey

XRCJABKXJJKZPH-UHFFFAOYSA-N

Compound name

pentadeca-2,4-diynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 234.16199 Da
Monoisotopic Mass: 5.9
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]+	235.16927	172.5
[M+Na]+	257.15121	179.2
[M+NH4]+	252.19581	171.8
[M+K]+	273.12515	168.9
[M-H]-	233.15471	159.5
[M+Na-2H]-	255.13666	168.6
[M]+	234.16144	168.4
[M]-	234.16254	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe