CID 2757994

Methyl 2-cyclohexyl-3-oxobutanoate

Structural Information

Molecular Formula
C11H18O3
SMILES
CC(=O)C(C1CCCCC1)C(=O)OC
InChI
InChI=1S/C11H18O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h9-10H,3-7H2,1-2H3
InChIKey
NUGGQIWQPPASAV-UHFFFAOYSA-N
Compound name
methyl 2-cyclohexyl-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 145.9
[M+Na]+ 221.114818 149.1
[M-H]- 197.118324 148.2
[M+NH4]+ 216.159423 164.5
[M+K]+ 237.088758 149.2
[M+H-H2O]+ 181.122860 140.0
[M+HCOO]- 243.123801 163.5
[M+CH3COO]- 257.139451 184.7
[M+Na-2H]- 219.100266 146.4
[M]+ 198.12505142 143.2
[M]- 198.12614858 143.2
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

patents stripe