CID 154507527

2-ethynyl-1,1-dimethylcyclopropane

Structural Information

Molecular Formula

C₇H₁₀

SMILES

CC1(CC1C#C)C

InChI

InChI=1S/C7H10/c1-4-6-5-7(6,2)3/h1,6H,5H2,2-3H3

InChIKey

PTMQBUOJGOAYDR-UHFFFAOYSA-N

Compound name

2-ethynyl-1,1-dimethylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 94.07825 Da
Monoisotopic Mass: 2.1
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]+	95.085526	117.3
[M+Na]+	117.06747	130.4
[M+NH4]+	112.11207	125.0
[M+K]+	133.04141	121.6
[M-H]-	93.070974	117.9
[M+Na-2H]-	115.05292	124.5
[M]+	94.077701	119.8
[M]-	94.078799	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe