CID 725658

Refchem:527758

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC1(CC(=CC(=O)C1)N2CCOCC2)C
InChI
InChI=1S/C12H19NO2/c1-12(2)8-10(7-11(14)9-12)13-3-5-15-6-4-13/h7H,3-6,8-9H2,1-2H3
InChIKey
AZJFAQDAOWAUAN-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
Patents

209.14159 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 147.7
[M+Na]+ 232.13081 153.2
[M-H]- 208.13431 152.9
[M+NH4]+ 227.17541 165.6
[M+K]+ 248.10475 152.5
[M+H-H2O]+ 192.13885 140.5
[M+HCOO]- 254.13979 163.9
[M+CH3COO]- 268.15544 185.5
[M+Na-2H]- 230.11626 152.3
[M]+ 209.14104 143.3
[M]- 209.14214 143.3
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

No patent data available for this compound.