CID 3056660

Brn 4447381

Structural Information

Molecular Formula
C13H15NO2
SMILES
COC1=CC=CC=C1NC2=CC(=O)CCC2
InChI
InChI=1S/C13H15NO2/c1-16-13-8-3-2-7-12(13)14-10-5-4-6-11(15)9-10/h2-3,7-9,14H,4-6H2,1H3
InChIKey
ANVIMHQBIADCBH-UHFFFAOYSA-N
Compound name
3-(2-methoxyanilino)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.8
[M+Na]+ 240.09950 153.0
[M-H]- 216.10300 153.3
[M+NH4]+ 235.14410 164.9
[M+K]+ 256.07344 150.2
[M+H-H2O]+ 200.10754 139.5
[M+HCOO]- 262.10848 170.4
[M+CH3COO]- 276.12413 190.1
[M+Na-2H]- 238.08495 152.4
[M]+ 217.10973 144.9
[M]- 217.11083 144.9
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.