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 124.6
[M+Na]+ 149.09368 131.6
[M-H]- 125.09718 128.7
[M+NH4]+ 144.13828 142.7
[M+K]+ 165.06762 133.7
[M+H-H2O]+ 109.10172 116.6
[M+HCOO]- 171.10266 146.6
[M+CH3COO]- 185.11831 176.6
[M+Na-2H]- 147.07913 131.1
[M]+ 126.10391 133.9
[M]- 126.10501 133.9
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