CID 439356

2-amino-3-(1h-indol-3-yl)propanamide

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N
InChI
InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
InChIKey
JLSKPBDKNIXMBS-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-(1H-indol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1290
Patents

203.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.7
[M+Na]+ 226.09509 153.3
[M+NH4]+ 221.13969 151.0
[M+K]+ 242.06903 150.5
[M-H]- 202.09859 145.0
[M+Na-2H]- 224.08054 148.3
[M]+ 203.10532 145.0
[M]- 203.10642 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe