CID 142749

Ethynylcyclobutane

Structural Information

Molecular Formula
C6H8
SMILES
C#CC1CCC1
InChI
InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2
InChIKey
GAXSIWLVORHPTJ-UHFFFAOYSA-N
Compound name
ethynylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

80.0626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.069876 114.1
[M+Na]+ 103.05182 121.7
[M+NH4]+ 98.096423 116.9
[M+K]+ 119.02576 114.7
[M-H]- 79.055324 106.2
[M+Na-2H]- 101.03727 115.8
[M]+ 80.062051 111.1
[M]- 80.063149 111.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe