CID 144373

2-methyl-1-nonene-3-yne

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CCCCCC#CC(=C)C

InChI

InChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h2,4-7H2,1,3H3

InChIKey

GSFPEKGMYODGNK-UHFFFAOYSA-N

Compound name

2-methylnon-1-en-3-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 136.1252 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]+	137.132476	131.1
[M+Na]+	159.114418	139.7
[M-H]-	135.117924	130.8
[M+NH4]+	154.159023	151.1
[M+K]+	175.088358	137.1
[M+H-H2O]+	119.122460	120.8
[M+HCOO]-	181.123401	147.7
[M+CH3COO]-	195.139051	185.1
[M+Na-2H]-	157.099866	134.9
[M]+	136.12465142	126.7
[M]-	136.12574858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe