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 143.3
[M+Na]+ 207.09916 147.9
[M-H]- 183.10266 146.2
[M+NH4]+ 202.14376 164.4
[M+K]+ 223.07310 148.1
[M+H-H2O]+ 167.10720 138.0
[M+HCOO]- 229.10814 163.4
[M+CH3COO]- 243.12379 181.4
[M+Na-2H]- 205.08461 143.0
[M]+ 184.10939 142.3
[M]- 184.11049 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.