CID 13108541

1-cyclopentyl-2-methoxyethan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
COCC(=O)C1CCCC1
InChI
InChI=1S/C8H14O2/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKey
PYPUDSQLJBSGCQ-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.8
[M+Na]+ 165.088598 137.4
[M-H]- 141.092104 134.7
[M+NH4]+ 160.133203 154.8
[M+K]+ 181.062538 137.3
[M+H-H2O]+ 125.096640 126.6
[M+HCOO]- 187.097581 154.1
[M+CH3COO]- 201.113231 173.2
[M+Na-2H]- 163.074046 135.0
[M]+ 142.09883142 130.6
[M]- 142.09992858 130.6
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

No patent data available for this compound.