CID 722402

3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

205.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.5
[M+Na]+ 228.09950 152.2
[M-H]- 204.10300 150.5
[M+NH4]+ 223.14410 165.0
[M+K]+ 244.07344 151.3
[M+H-H2O]+ 188.10754 138.9
[M+HCOO]- 250.10848 170.5
[M+CH3COO]- 264.12413 192.3
[M+Na-2H]- 226.08495 149.8
[M]+ 205.10973 148.2
[M]- 205.11083 148.2
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

patents stripe