CID 64521347

3-(3-methylbutyl)cyclopentan-1-one

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)CCC1CCC(=O)C1
InChI
InChI=1S/C10H18O/c1-8(2)3-4-9-5-6-10(11)7-9/h8-9H,3-7H2,1-2H3
InChIKey
KEKGVGPMNJKXQT-UHFFFAOYSA-N
Compound name
3-(3-methylbutyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.1
[M+Na]+ 177.12499 142.9
[M-H]- 153.12849 140.1
[M+NH4]+ 172.16959 160.0
[M+K]+ 193.09893 141.7
[M+H-H2O]+ 137.13303 132.0
[M+HCOO]- 199.13397 158.4
[M+CH3COO]- 213.14962 178.4
[M+Na-2H]- 175.11044 138.5
[M]+ 154.13522 135.6
[M]- 154.13632 135.6
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