CID 12233520

(2e)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C12H15NO2
SMILES
CN(C)/C=C/C(=O)C1=CC(=CC=C1)OC
InChI
InChI=1S/C12H15NO2/c1-13(2)8-7-12(14)10-5-4-6-11(9-10)15-3/h4-9H,1-3H3/b8-7+
InChIKey
QBMMITATXZJWDG-BQYQJAHWSA-N
Compound name
(E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

205.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.4
[M+Na]+ 228.09950 157.9
[M+NH4]+ 223.14410 154.1
[M+K]+ 244.07344 151.9
[M-H]- 204.10300 148.6
[M+Na-2H]- 226.08495 152.6
[M]+ 205.10973 148.5
[M]- 205.11083 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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