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

literature stripe

Patent stripe

patents stripe