CID 82937018

Methyl 2-cyclopentyl-3-oxobutanoate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(=O)C(C1CCCC1)C(=O)OC
InChI
InChI=1S/C10H16O3/c1-7(11)9(10(12)13-2)8-5-3-4-6-8/h8-9H,3-6H2,1-2H3
InChIKey
RQMOXDREVMXCFY-UHFFFAOYSA-N
Compound name
methyl 2-cyclopentyl-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 143.3
[M+Na]+ 207.099158 147.9
[M-H]- 183.102664 146.2
[M+NH4]+ 202.143763 164.4
[M+K]+ 223.073098 148.1
[M+H-H2O]+ 167.107200 138.0
[M+HCOO]- 229.108141 163.4
[M+CH3COO]- 243.123791 181.4
[M+Na-2H]- 205.084606 143.0
[M]+ 184.10939142 142.3
[M]- 184.11048858 142.3
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.