CID 252322

Ethylcyclobutane

Structural Information

Molecular Formula
C6H12
SMILES
CCC1CCC1
InChI
InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3
InChIKey
NEZRFXZYPAIZAD-UHFFFAOYSA-N
Compound name
ethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

16584
Patents

84.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 113.1
[M+Na]+ 107.08312 119.0
[M-H]- 83.086624 116.7
[M+NH4]+ 102.12772 130.7
[M+K]+ 123.05706 121.8
[M+H-H2O]+ 67.091160 104.1
[M+HCOO]- 129.09210 135.4
[M+CH3COO]- 143.10775 169.2
[M+Na-2H]- 105.06857 120.4
[M]+ 84.093351 120.2
[M]- 84.094449 120.2
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