CID 90205364

1002353-89-0

Structural Information

Molecular Formula
C11H14O2
SMILES
CCOC1=CC(=O)C(CC1)CC#C
InChI
InChI=1S/C11H14O2/c1-3-5-9-6-7-10(13-4-2)8-11(9)12/h1,8-9H,4-7H2,2H3
InChIKey
KWOUOYZBVSWBNE-UHFFFAOYSA-N
Compound name
3-ethoxy-6-prop-2-ynylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 136.3
[M+Na]+ 201.088598 145.9
[M-H]- 177.092104 138.6
[M+NH4]+ 196.133203 154.6
[M+K]+ 217.062538 142.3
[M+H-H2O]+ 161.096640 125.2
[M+HCOO]- 223.097581 152.7
[M+CH3COO]- 237.113231 189.9
[M+Na-2H]- 199.074046 139.8
[M]+ 178.09883142 131.2
[M]- 178.09992858 131.2
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