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]+ 261.159746 161.4
[M+Na]+ 283.141688 169.1
[M-H]- 259.145194 163.0
[M+NH4]+ 278.186293 178.9
[M+K]+ 299.115628 164.5
[M+H-H2O]+ 243.149730 154.3
[M+HCOO]- 305.150671 183.3
[M+CH3COO]- 319.166321 196.6
[M+Na-2H]- 281.127136 164.4
[M]+ 260.15192142 163.6
[M]- 260.15301858 163.6
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.