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]+ 109.10118 120.8
[M+Na]+ 131.08312 128.2
[M+NH4]+ 126.12772 124.6
[M+K]+ 147.05706 119.5
[M-H]- 107.08662 112.8
[M+Na-2H]- 129.06857 123.4
[M]+ 108.09335 118.0
[M]- 108.09445 118.0
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.