CID 209971

20808-94-0

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC(=O)C1=CC=CC=C1OCCN(C)C
InChI
InChI=1S/C13H19NO2/c1-4-12(15)11-7-5-6-8-13(11)16-10-9-14(2)3/h5-8H,4,9-10H2,1-3H3
InChIKey
HFTXHBKTFPQXAF-UHFFFAOYSA-N
Compound name
1-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.6
[M+Na]+ 244.130808 157.5
[M-H]- 220.134314 156.3
[M+NH4]+ 239.175413 170.4
[M+K]+ 260.104748 156.9
[M+H-H2O]+ 204.138850 144.7
[M+HCOO]- 266.139791 176.0
[M+CH3COO]- 280.155441 196.9
[M+Na-2H]- 242.116256 155.2
[M]+ 221.14104142 155.4
[M]- 221.14213858 155.4
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

No patent data available for this compound.