CID 43552

1,2-diethylcyclobutane

Structural Information

Molecular Formula
C8H16
SMILES
CCC1CCC1CC
InChI
InChI=1S/C8H16/c1-3-7-5-6-8(7)4-2/h7-8H,3-6H2,1-2H3
InChIKey
SXWCZDYKTCYCIC-UHFFFAOYSA-N
Compound name
1,2-diethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

154
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 122.3
[M+Na]+ 135.11442 128.3
[M-H]- 111.11792 126.0
[M+NH4]+ 130.15902 139.1
[M+K]+ 151.08836 130.5
[M+H-H2O]+ 95.122460 113.1
[M+HCOO]- 157.12340 143.9
[M+CH3COO]- 171.13905 176.1
[M+Na-2H]- 133.09987 127.8
[M]+ 112.12465 130.5
[M]- 112.12575 130.5
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