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]+ 199.13288 145.9
[M+Na]+ 221.11482 149.1
[M-H]- 197.11832 148.2
[M+NH4]+ 216.15942 164.5
[M+K]+ 237.08876 149.2
[M+H-H2O]+ 181.12286 140.0
[M+HCOO]- 243.12380 163.5
[M+CH3COO]- 257.13945 184.7
[M+Na-2H]- 219.10027 146.4
[M]+ 198.12505 143.2
[M]- 198.12615 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