CID 157356129

1-ethyl-1-ethynylcyclobutane

Structural Information

Molecular Formula
C8H12
SMILES
CCC1(CCC1)C#C
InChI
InChI=1S/C8H12/c1-3-8(4-2)6-5-7-8/h1H,4-7H2,2H3
InChIKey
VLKVEBOYJPLSOH-UHFFFAOYSA-N
Compound name
1-ethyl-1-ethynylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

108.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.101176 117.3
[M+Na]+ 131.083118 126.1
[M-H]- 107.086624 120.4
[M+NH4]+ 126.127723 134.1
[M+K]+ 147.057058 127.0
[M+H-H2O]+ 91.091160 104.2
[M+HCOO]- 153.092101 134.0
[M+CH3COO]- 167.107751 182.0
[M+Na-2H]- 129.068566 124.3
[M]+ 108.09335142 119.3
[M]- 108.09444858 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.