CID 61264478

2287238-10-0

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)N
InChI
InChI=1S/C13H18N2O4/c1-13(2,14)12(19)15-10(11(17)18)7-8-3-5-9(16)6-4-8/h3-6,10,16H,7,14H2,1-2H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKey
UGKBIBCSEZHUDA-JTQLQIEISA-N
Compound name
(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.0
[M+Na]+ 289.11587 167.3
[M+NH4]+ 284.16047 165.1
[M+K]+ 305.08981 165.9
[M-H]- 265.11937 159.7
[M+Na-2H]- 287.10132 162.9
[M]+ 266.12610 160.9
[M]- 266.12720 160.9
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.