CID 2734482

71239-85-5

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=N1)C(=O)O
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKey
KMODKKCXWFNEIK-JTQLQIEISA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

266.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 160.8
[M+Na]+ 289.11587 168.6
[M+NH4]+ 284.16047 165.1
[M+K]+ 305.08981 166.4
[M-H]- 265.11937 159.0
[M+Na-2H]- 287.10132 163.9
[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

literature stripe

Patent stripe

patents stripe