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

55
Patents

205.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.5
[M+Na]+ 228.099498 152.2
[M-H]- 204.103004 150.5
[M+NH4]+ 223.144103 165.0
[M+K]+ 244.073438 151.3
[M+H-H2O]+ 188.107540 138.9
[M+HCOO]- 250.108481 170.5
[M+CH3COO]- 264.124131 192.3
[M+Na-2H]- 226.084946 149.8
[M]+ 205.10973142 148.2
[M]- 205.11082858 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

literature stripe

Patent stripe

patents stripe