CID 91692468

Uctuwlqbndckiq-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₈H₅₂O₂

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC#C

InChI

InChI=1S/C28H52O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-12-10-8-6-4-2/h2H,3,5-27H2,1H3

InChIKey

UCTUWLQBNDCKIQ-UHFFFAOYSA-N

Compound name

heptadecyl undec-10-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 420.39673 Da
Monoisotopic Mass: 12.0
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]+	421.404006	205.0
[M+Na]+	443.385948	206.7
[M-H]-	419.389454	201.4
[M+NH4]+	438.430553	214.4
[M+K]+	459.359888	200.6
[M+H-H2O]+	403.393990	191.3
[M+HCOO]-	465.394931	216.8
[M+CH3COO]-	479.410581	236.7
[M+Na-2H]-	441.371396	200.4
[M]+	420.39618142	209.4
[M]-	420.39727858	209.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.