CID 61264478

(2s)-2-(2-amino-2-methylpropanamido)-3-(4-hydroxyphenyl)propanoic acid hydrochloride

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 160.9
[M+Na]+ 289.11587 164.8
[M-H]- 265.11937 161.1
[M+NH4]+ 284.16047 174.8
[M+K]+ 305.08981 163.1
[M+H-H2O]+ 249.12391 154.6
[M+HCOO]- 311.12485 179.2
[M+CH3COO]- 325.14050 198.3
[M+Na-2H]- 287.10132 162.1
[M]+ 266.12610 158.1
[M]- 266.12720 158.1
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.