CID 3072558

143337-76-2

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC1=CC=C(C=C1)C(=O)CCNC
InChI
InChI=1S/C12H17NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,13H,3,8-9H2,1-2H3
InChIKey
ZXSAYNRSJSCKCC-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 153.2
[M-H]- 206.11865 150.4
[M+NH4]+ 225.15975 165.8
[M+K]+ 246.08909 151.4
[M+H-H2O]+ 190.12319 140.5
[M+HCOO]- 252.12413 171.3
[M+CH3COO]- 266.13978 190.4
[M+Na-2H]- 228.10060 152.0
[M]+ 207.12538 149.2
[M]- 207.12648 149.2
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

No patent data available for this compound.