CID 11412383

3,3-diethylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CCC1(CC(=O)C1)CC
InChI
InChI=1S/C8H14O/c1-3-8(4-2)5-7(9)6-8/h3-6H2,1-2H3
InChIKey
GJNBYMJQVVJXDC-UHFFFAOYSA-N
Compound name
3,3-diethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.6
[M+Na]+ 149.09368 133.5
[M+NH4]+ 144.13828 132.9
[M+K]+ 165.06762 127.6
[M-H]- 125.09718 125.4
[M+Na-2H]- 147.07913 130.8
[M]+ 126.10391 126.2
[M]- 126.10501 126.2
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

patents stripe