CID 123812267

2680530-41-8

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

CC1C=C(CCC1C#C)C

InChI

InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h1,7,9-10H,5-6H2,2-3H3

InChIKey

DENQFWVRZNXJFF-UHFFFAOYSA-N

Compound name

4-ethynyl-1,3-dimethylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.10954 Da
Monoisotopic Mass: 2.5
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]+	135.11682	127.2
[M+Na]+	157.09876	137.1
[M-H]-	133.10226	129.8
[M+NH4]+	152.14336	147.4
[M+K]+	173.07270	133.3
[M+H-H2O]+	117.10680	116.8
[M+HCOO]-	179.10774	143.4
[M+CH3COO]-	193.12339	184.5
[M+Na-2H]-	155.08421	131.4
[M]+	134.10899	119.9
[M]-	134.11009	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe