CID 14405854

1-cyclobutyl-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(C)C(=O)C1CCC1
InChI
InChI=1S/C9H16O/c1-9(2,3)8(10)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKey
OHUBVXYJTFFATH-UHFFFAOYSA-N
Compound name
1-cyclobutyl-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 132.8
[M+Na]+ 163.10934 138.3
[M+NH4]+ 158.15394 137.2
[M+K]+ 179.08328 135.5
[M-H]- 139.11284 130.6
[M+Na-2H]- 161.09479 134.8
[M]+ 140.11957 131.7
[M]- 140.12067 131.7
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