CID 209977

20808-97-3

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCC(=O)C1=C(C=C(C=C1)OC)OCCN(C)C
InChI
InChI=1S/C14H21NO3/c1-5-13(16)12-7-6-11(17-4)10-14(12)18-9-8-15(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKey
GUJRCKPJWRMDOY-UHFFFAOYSA-N
Compound name
1-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.5
[M+Na]+ 274.14137 164.8
[M-H]- 250.14487 163.4
[M+NH4]+ 269.18597 176.4
[M+K]+ 290.11531 164.6
[M+H-H2O]+ 234.14941 151.4
[M+HCOO]- 296.15035 182.9
[M+CH3COO]- 310.16600 203.1
[M+Na-2H]- 272.12682 161.0
[M]+ 251.15160 164.6
[M]- 251.15270 164.6
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.