CID 21718634

Cyclopentanone, 3-ethyl-3-methyl-

Structural Information

Molecular Formula
C8H14O
SMILES
CCC1(CCC(=O)C1)C
InChI
InChI=1S/C8H14O/c1-3-8(2)5-4-7(9)6-8/h3-6H2,1-2H3
InChIKey
IUZULRVGAITOOO-UHFFFAOYSA-N
Compound name
3-ethyl-3-methylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 125.8
[M+Na]+ 149.093678 133.6
[M-H]- 125.097184 129.5
[M+NH4]+ 144.138283 152.0
[M+K]+ 165.067618 132.8
[M+H-H2O]+ 109.101720 122.1
[M+HCOO]- 171.102661 148.9
[M+CH3COO]- 185.118311 171.0
[M+Na-2H]- 147.079126 130.9
[M]+ 126.10391142 124.5
[M]- 126.10500858 124.5
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.