CID 29682

19615-96-4

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCCC(=O)OC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C14H18N2O2/c1-2-3-14(17)18-11-4-5-13-12(8-11)10(6-7-15)9-16-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
InChIKey
WMGHFSKAVCWAHM-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.8
[M+Na]+ 269.12605 167.7
[M+NH4]+ 264.17065 163.8
[M+K]+ 285.09999 163.4
[M-H]- 245.12955 157.7
[M+Na-2H]- 267.11150 161.0
[M]+ 246.13628 158.3
[M]- 246.13738 158.3
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.