CID 69785740

3-(2,2-dimethylpropyl)cyclobutan-1-one

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(C)CC1CC(=O)C1
InChI
InChI=1S/C9H16O/c1-9(2,3)6-7-4-8(10)5-7/h7H,4-6H2,1-3H3
InChIKey
QEOHWKKNCQPVMC-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.6
[M+Na]+ 163.10934 137.9
[M+NH4]+ 158.15394 136.2
[M+K]+ 179.08328 134.5
[M-H]- 139.11284 129.7
[M+Na-2H]- 161.09479 133.9
[M]+ 140.11957 130.7
[M]- 140.12067 130.7
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