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]+ 179.10666 136.3
[M+Na]+ 201.08860 145.9
[M-H]- 177.09210 138.6
[M+NH4]+ 196.13320 154.6
[M+K]+ 217.06254 142.3
[M+H-H2O]+ 161.09664 125.2
[M+HCOO]- 223.09758 152.7
[M+CH3COO]- 237.11323 189.9
[M+Na-2H]- 199.07405 139.8
[M]+ 178.09883 131.2
[M]- 178.09993 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