CID 538977

Methyl 3-(3-oxocyclohexyl)propanoate

Structural Information

Molecular Formula
C10H16O3
SMILES
COC(=O)CCC1CCCC(=O)C1
InChI
InChI=1S/C10H16O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h8H,2-7H2,1H3
InChIKey
WXQCUJQZHHWZLU-UHFFFAOYSA-N
Compound name
methyl 3-(3-oxocyclohexyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 141.4
[M+Na]+ 207.09916 151.1
[M+NH4]+ 202.14376 148.9
[M+K]+ 223.07310 145.8
[M-H]- 183.10266 142.0
[M+Na-2H]- 205.08461 145.0
[M]+ 184.10939 142.6
[M]- 184.11049 142.6
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.