CID 78911

3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN(C)CCC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H17NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
OFNZCNMFQSONGW-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

36
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.8
[M+Na]+ 230.115148 153.2
[M-H]- 206.118654 151.7
[M+NH4]+ 225.159753 166.2
[M+K]+ 246.089088 152.8
[M+H-H2O]+ 190.123190 140.1
[M+HCOO]- 252.124131 171.6
[M+CH3COO]- 266.139781 193.9
[M+Na-2H]- 228.100596 151.0
[M]+ 207.12538142 150.3
[M]- 207.12647858 150.3
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