CID 3084743

9-tricosyne

Structural Information

Molecular Formula

C₂₃H₄₄

SMILES

CCCCCCCCCCCCCC#CCCCCCCCC

InChI

InChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-17,19,21-23H2,1-2H3

InChIKey

LFCOTQSSVSUPCL-UHFFFAOYSA-N

Compound name

tricos-9-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 320.3443 Da
Monoisotopic Mass: 11.5
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]+	321.35158	180.6
[M+Na]+	343.33352	184.4
[M-H]-	319.33702	178.0
[M+NH4]+	338.37812	194.1
[M+K]+	359.30746	178.7
[M+H-H2O]+	303.34156	168.0
[M+HCOO]-	365.34250	194.2
[M+CH3COO]-	379.35815	220.1
[M+Na-2H]-	341.31897	179.5
[M]+	320.34375	182.0
[M]-	320.34485	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe