CID 145506

1,4-dicyclopropylbuta-1,3-diyne

Structural Information

Molecular Formula

C₁₀H₁₀

SMILES

C1CC1C#CC#CC2CC2

InChI

InChI=1S/C10H10/c1(3-9-5-6-9)2-4-10-7-8-10/h9-10H,5-8H2

InChIKey

QKYOSKNMZOKGDC-UHFFFAOYSA-N

Compound name

4-cyclopropylbuta-1,3-diynylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 130.07825 Da
Monoisotopic Mass: 2.9
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]+	131.08553	134.1
[M+Na]+	153.06747	155.7
[M-H]-	129.07097	144.1
[M+NH4]+	148.11207	146.2
[M+K]+	169.04141	144.6
[M+H-H2O]+	113.07551	129.1
[M+HCOO]-	175.07645	148.2
[M+CH3COO]-	189.09210	146.0
[M+Na-2H]-	151.05292	141.2
[M]+	130.07770	134.0
[M]-	130.07880	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe