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

2
Patents

280.1423 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 166.8
[M+Na]+ 303.131518 169.5
[M-H]- 279.135024 166.5
[M+NH4]+ 298.176123 179.9
[M+K]+ 319.105458 167.7
[M+H-H2O]+ 263.139560 159.6
[M+HCOO]- 325.140501 185.2
[M+CH3COO]- 339.156151 201.9
[M+Na-2H]- 301.116966 165.1
[M]+ 280.14175142 164.2
[M]- 280.14284858 164.2
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.