CID 115426583

2378490-67-4

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)(CN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C14H20N2O4/c1-14(2,8-15)13(20)16-11(12(18)19)7-9-3-5-10(17)6-4-9/h3-6,11,17H,7-8,15H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKey
NEONATKBZYSKPY-NSHDSACASA-N
Compound name
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.4
[M+Na]+ 303.13152 171.5
[M+NH4]+ 298.17612 169.3
[M+K]+ 319.10546 169.9
[M-H]- 279.13502 164.0
[M+Na-2H]- 301.11697 167.1
[M]+ 280.14175 165.2
[M]- 280.14285 165.2
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.