CID 140241

Di-t-butylacetylene

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CC(C)(C)C#CC(C)(C)C

InChI

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

InChIKey

FXVDWKZNFZMSOU-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethylhex-3-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 394
Patents: 138.14085 Da
Monoisotopic Mass: 4.0
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	135.8
[M+Na]+	161.130068	144.9
[M-H]-	137.133574	136.0
[M+NH4]+	156.174673	156.0
[M+K]+	177.104008	143.5
[M+H-H2O]+	121.138110	126.5
[M+HCOO]-	183.139051	150.3
[M+CH3COO]-	197.154701	185.9
[M+Na-2H]-	159.115516	141.3
[M]+	138.14030142	131.6
[M]-	138.14139858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe