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

99
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 131.0
[M+Na]+ 163.109338 136.0
[M-H]- 139.112844 134.5
[M+NH4]+ 158.153943 146.3
[M+K]+ 179.083278 138.6
[M+H-H2O]+ 123.117380 121.8
[M+HCOO]- 185.118321 150.1
[M+CH3COO]- 199.133971 179.3
[M+Na-2H]- 161.094786 135.7
[M]+ 140.11957142 138.7
[M]- 140.12066858 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