CID 122240184

(2,2-dimethylbut-3-yn-1-yl)cyclobutane

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC(C)(CC1CCC1)C#C

InChI

InChI=1S/C10H16/c1-4-10(2,3)8-9-6-5-7-9/h1,9H,5-8H2,2-3H3

InChIKey

HTZYCVFVFBXZJH-UHFFFAOYSA-N

Compound name

2,2-dimethylbut-3-ynylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.1252 Da
Monoisotopic Mass: 3.9
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	127.3
[M+Na]+	159.114418	134.5
[M-H]-	135.117924	129.8
[M+NH4]+	154.159023	141.3
[M+K]+	175.088358	136.0
[M+H-H2O]+	119.122460	113.1
[M+HCOO]-	181.123401	141.9
[M+CH3COO]-	195.139051	187.9
[M+Na-2H]-	157.099866	132.6
[M]+	136.12465142	129.1
[M]-	136.12574858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.