CID 15584333

2-ethyl-2-methylcyclopentan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CCC1(CCCC1=O)C
InChI
InChI=1S/C8H14O/c1-3-8(2)6-4-5-7(8)9/h3-6H2,1-2H3
InChIKey
ZHJJVWXWSJSXAX-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

126.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.8
[M+Na]+ 149.09368 138.3
[M+NH4]+ 144.13828 138.4
[M+K]+ 165.06762 132.0
[M-H]- 125.09718 129.3
[M+Na-2H]- 147.07913 133.9
[M]+ 126.10391 129.7
[M]- 126.10501 129.7
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