CID 341040

Ccris 8957

Structural Information

Molecular Formula
C12H15NO
SMILES
CN(C)CC(=C)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H15NO/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKey
AWGQYDRZMTZRRG-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 143.0
[M+Na]+ 212.10459 148.5
[M-H]- 188.10809 147.7
[M+NH4]+ 207.14919 162.7
[M+K]+ 228.07853 147.4
[M+H-H2O]+ 172.11263 136.5
[M+HCOO]- 234.11357 166.7
[M+CH3COO]- 248.12922 190.7
[M+Na-2H]- 210.09004 146.7
[M]+ 189.11482 143.3
[M]- 189.11592 143.3
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