CID 12997

1-decyne

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCCCCCCCC#C

InChI

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3

InChIKey

ILLHQJIJCRNRCJ-UHFFFAOYSA-N

Compound name

dec-1-yne

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 14072
Patents: 138.14085 Da
Monoisotopic Mass: 4.6
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	129.5
[M+Na]+	161.130068	137.9
[M-H]-	137.133574	129.0
[M+NH4]+	156.174673	149.4
[M+K]+	177.104008	135.5
[M+H-H2O]+	121.138110	119.1
[M+HCOO]-	183.139051	146.9
[M+CH3COO]-	197.154701	186.5
[M+Na-2H]-	159.115516	134.6
[M]+	138.14030142	126.6
[M]-	138.14139858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe