CID 522420

7-methyl-1-nonyne

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCC(C)CCCCC#C

InChI

InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3

InChIKey

ILTCNNWNFZMWTJ-UHFFFAOYSA-N

Compound name

7-methylnon-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 138.14085 Da
Monoisotopic Mass: 4.3
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]+	139.14813	131.6
[M+Na]+	161.13007	142.1
[M+NH4]+	156.17467	136.6
[M+K]+	177.10401	132.7
[M-H]-	137.13357	124.1
[M+Na-2H]-	159.11552	133.1
[M]+	138.14030	130.1
[M]-	138.14140	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe