CID 1133311

2137073-76-6

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCNC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C13H17N3O/c1-2-15-13(17)11(14)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,2,7,14H2,1H3,(H,15,17)/t11-/m1/s1
InChIKey
ITMWMUMGRHXBTK-LLVKDONJSA-N
Compound name
(2R)-2-amino-N-ethyl-3-(1H-indol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 152.9
[M+Na]+ 254.12638 162.4
[M+NH4]+ 249.17098 160.0
[M+K]+ 270.10032 158.9
[M-H]- 230.12988 154.4
[M+Na-2H]- 252.11183 157.4
[M]+ 231.13661 154.3
[M]- 231.13771 154.3
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.