CID 353912

3-dimethylamino-2-(4-methoxybenzoyl)propene

Structural Information

Molecular Formula
C13H17NO2
SMILES
CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H17NO2/c1-10(9-14(2)3)13(15)11-5-7-12(16-4)8-6-11/h5-8H,1,9H2,2-4H3
InChIKey
HRGGVRDUIMMKHK-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

219.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.0
[M+Na]+ 242.11515 156.0
[M-H]- 218.11865 154.9
[M+NH4]+ 237.15975 168.7
[M+K]+ 258.08909 155.3
[M+H-H2O]+ 202.12319 143.3
[M+HCOO]- 264.12413 173.7
[M+CH3COO]- 278.13978 196.9
[M+Na-2H]- 240.10060 152.5
[M]+ 219.12538 152.5
[M]- 219.12648 152.5
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

patents stripe