CID 79020

487-51-4

Structural Information

Molecular Formula
C10H14O3
SMILES
CCOC(=O)C1CCC(=O)C=C1C
InChI
InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h6,9H,3-5H2,1-2H3
InChIKey
VLTANIMRIRCCOQ-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-4-oxocyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

153
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.1
[M+Na]+ 205.08352 150.2
[M+NH4]+ 200.12812 146.7
[M+K]+ 221.05746 144.9
[M-H]- 181.08702 140.0
[M+Na-2H]- 203.06897 143.5
[M]+ 182.09375 140.7
[M]- 182.09485 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