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 129.2
[M+Na]+ 163.10934 135.4
[M-H]- 139.11284 133.0
[M+NH4]+ 158.15394 145.0
[M+K]+ 179.08328 137.7
[M+H-H2O]+ 123.11738 120.4
[M+HCOO]- 185.11832 149.4
[M+CH3COO]- 199.13397 179.6
[M+Na-2H]- 161.09479 134.7
[M]+ 140.11957 138.0
[M]- 140.12067 138.0
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