CID 16944

4-decyne

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCCCCC#CCCC

InChI

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-7,9H2,1-2H3

InChIKey

KVUNBQMRRNMQIZ-UHFFFAOYSA-N

Compound name

dec-4-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2336
Patents: 138.14085 Da
Monoisotopic Mass: 4.5
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]+	139.148126	130.2
[M+Na]+	161.130068	138.7
[M-H]-	137.133574	129.7
[M+NH4]+	156.174673	150.2
[M+K]+	177.104008	136.3
[M+H-H2O]+	121.138110	119.8
[M+HCOO]-	183.139051	147.5
[M+CH3COO]-	197.154701	185.2
[M+Na-2H]-	159.115516	135.2
[M]+	138.14030142	127.0
[M]-	138.14139858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe