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 131.0
[M+Na]+ 163.10934 136.0
[M-H]- 139.11284 134.5
[M+NH4]+ 158.15394 146.3
[M+K]+ 179.08328 138.6
[M+H-H2O]+ 123.11738 121.8
[M+HCOO]- 185.11832 150.1
[M+CH3COO]- 199.13397 179.3
[M+Na-2H]- 161.09479 135.7
[M]+ 140.11957 138.7
[M]- 140.12067 138.7
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