CID 61157167

2375250-59-0

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N
InChI
InChI=1S/C14H20N2O4/c1-2-3-11(15)13(18)16-12(14(19)20)8-9-4-6-10(17)7-5-9/h4-7,11-12,17H,2-3,8,15H2,1H3,(H,16,18)(H,19,20)
InChIKey
FWUBCQXKMYRUOW-UHFFFAOYSA-N
Compound name
2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 166.5
[M+Na]+ 303.13152 172.5
[M+NH4]+ 298.17612 170.5
[M+K]+ 319.10546 170.4
[M-H]- 279.13502 165.4
[M+Na-2H]- 301.11697 167.7
[M]+ 280.14175 166.3
[M]- 280.14285 166.3
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.