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]+ 185.11722 143.0
[M+Na]+ 207.09916 150.5
[M+NH4]+ 202.14376 150.0
[M+K]+ 223.07310 148.6
[M-H]- 183.10266 142.4
[M+Na-2H]- 205.08461 145.0
[M]+ 184.10939 143.4
[M]- 184.11049 143.4
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.