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 117.3
[M+Na]+ 131.08312 126.1
[M-H]- 107.08662 120.4
[M+NH4]+ 126.12772 134.1
[M+K]+ 147.05706 127.0
[M+H-H2O]+ 91.091160 104.2
[M+HCOO]- 153.09210 134.0
[M+CH3COO]- 167.10775 182.0
[M+Na-2H]- 129.06857 124.3
[M]+ 108.09335 119.3
[M]- 108.09445 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.