CID 5199636

N-malonyltryptophan

Structural Information

Molecular Formula
C14H14N2O5
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(=O)O
InChI
InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
Compound name
2-[(2-carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

290.09027 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 164.1
[M+Na]+ 313.07949 171.3
[M+NH4]+ 308.12409 167.8
[M+K]+ 329.05343 171.2
[M-H]- 289.08299 161.4
[M+Na-2H]- 311.06494 165.2
[M]+ 290.08972 163.6
[M]- 290.09082 163.6
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

No patent data available for this compound.