CID 4428207

67174-68-9

Structural Information

Molecular Formula
C10H14O4
SMILES
CCOC(=O)C1C(CC(=O)C=C1O)C
InChI
InChI=1S/C10H14O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h5-6,9,12H,3-4H2,1-2H3
InChIKey
IKNXYQZPKRVKHN-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

198.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 140.3
[M+Na]+ 221.078418 147.8
[M-H]- 197.081924 142.8
[M+NH4]+ 216.123023 159.4
[M+K]+ 237.052358 146.7
[M+H-H2O]+ 181.086460 135.2
[M+HCOO]- 243.087401 160.4
[M+CH3COO]- 257.103051 182.7
[M+Na-2H]- 219.063866 142.4
[M]+ 198.08865142 140.7
[M]- 198.08974858 140.7
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

patents stripe