CID 209261

Valeric acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCCCC(=O)OC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C15H20N2O2/c1-2-3-4-15(18)19-12-5-6-14-13(9-12)11(7-8-16)10-17-14/h5-6,9-10,17H,2-4,7-8,16H2,1H3
InChIKey
XOGTYTRFNKUIQO-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 161.3
[M+Na]+ 283.14169 172.0
[M+NH4]+ 278.18629 168.2
[M+K]+ 299.11563 167.4
[M-H]- 259.14519 162.2
[M+Na-2H]- 281.12714 165.2
[M]+ 260.15192 162.8
[M]- 260.15302 162.8
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

No patent data available for this compound.