CID 8022433

Beta-alanyl-tryptaminium

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCN
InChI
InChI=1S/C13H17N3O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8,14H2,(H,15,17)
InChIKey
ANPPXRSQOVOACQ-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 151.5
[M+Na]+ 254.12638 158.3
[M-H]- 230.12988 153.0
[M+NH4]+ 249.17098 169.6
[M+K]+ 270.10032 153.7
[M+H-H2O]+ 214.13442 144.3
[M+HCOO]- 276.13536 175.0
[M+CH3COO]- 290.15101 192.4
[M+Na-2H]- 252.11183 156.9
[M]+ 231.13661 150.5
[M]- 231.13771 150.5
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

patents stripe