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]+ 232.144436 151.5
[M+Na]+ 254.126378 158.3
[M-H]- 230.129884 153.0
[M+NH4]+ 249.170983 169.6
[M+K]+ 270.100318 153.7
[M+H-H2O]+ 214.134420 144.3
[M+HCOO]- 276.135361 175.0
[M+CH3COO]- 290.151011 192.4
[M+Na-2H]- 252.111826 156.9
[M]+ 231.13661142 150.5
[M]- 231.13770858 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

No patent data available for this compound.