CID 13226241

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

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(C)CC1CCC(=O)C1
InChI
InChI=1S/C10H18O/c1-10(2,3)7-8-4-5-9(11)6-8/h8H,4-7H2,1-3H3
InChIKey
KHTKJRVWZHZJKW-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 136.2
[M+Na]+ 177.12499 142.9
[M-H]- 153.12849 139.6
[M+NH4]+ 172.16959 159.5
[M+K]+ 193.09893 141.7
[M+H-H2O]+ 137.13303 132.0
[M+HCOO]- 199.13397 157.1
[M+CH3COO]- 213.14962 177.2
[M+Na-2H]- 175.11044 139.8
[M]+ 154.13522 134.9
[M]- 154.13632 134.9
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

No patent data available for this compound.