CID 211243

Glutaramic acid, 4-hydroxy-4-phenyl-

Structural Information

Molecular Formula
C11H13NO4
SMILES
C1=CC=C(C=C1)C(CCC(=O)O)(C(=O)N)O
InChI
InChI=1S/C11H13NO4/c12-10(15)11(16,7-6-9(13)14)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,15)(H,13,14)
InChIKey
OGISRHPKMNAGLN-UHFFFAOYSA-N
Compound name
5-amino-4-hydroxy-5-oxo-4-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 148.5
[M+Na]+ 246.073678 153.4
[M-H]- 222.077184 148.6
[M+NH4]+ 241.118283 164.2
[M+K]+ 262.047618 151.3
[M+H-H2O]+ 206.081720 142.7
[M+HCOO]- 268.082661 167.4
[M+CH3COO]- 282.098311 185.2
[M+Na-2H]- 244.059126 152.2
[M]+ 223.08391142 146.1
[M]- 223.08500858 146.1
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.