CID 155907598

4-propanoyloxy dmt

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCC(=O)OC1=CC=CC2=C1C(=CN2)CCN(C)C
InChI
InChI=1S/C15H20N2O2/c1-4-14(18)19-13-7-5-6-12-15(13)11(10-16-12)8-9-17(2)3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKey
KUOGXPDQORRHED-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

260.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 161.4
[M+Na]+ 283.141688 169.1
[M-H]- 259.145194 164.9
[M+NH4]+ 278.186293 179.8
[M+K]+ 299.115628 166.3
[M+H-H2O]+ 243.149730 154.2
[M+HCOO]- 305.150671 184.4
[M+CH3COO]- 319.166321 200.5
[M+Na-2H]- 281.127136 164.6
[M]+ 260.15192142 165.8
[M]- 260.15301858 165.8
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

patents stripe