CID 6919096

4-(4-methylcyclohexyl)-4-oxobutanoic acid

Structural Information

Molecular Formula
C11H18O3
SMILES
CC1CCC(CC1)C(=O)CCC(=O)O
InChI
InChI=1S/C11H18O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKey
JOWMTYWOBJALGB-UHFFFAOYSA-N
Compound name
4-(4-methylcyclohexyl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

206
Patents

198.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 146.0
[M+Na]+ 221.11482 154.6
[M+NH4]+ 216.15942 152.9
[M+K]+ 237.08876 150.2
[M-H]- 197.11832 145.8
[M+Na-2H]- 219.10027 148.4
[M]+ 198.12505 146.7
[M]- 198.12615 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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