CID 2734482

Boc-3-(2-pyridyl)-ala-oh

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

329
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 161.4
[M+Na]+ 289.11587 165.9
[M-H]- 265.11937 162.0
[M+NH4]+ 284.16047 175.2
[M+K]+ 305.08981 165.0
[M+H-H2O]+ 249.12391 154.3
[M+HCOO]- 311.12485 179.6
[M+CH3COO]- 325.14050 195.8
[M+Na-2H]- 287.10132 164.7
[M]+ 266.12610 162.3
[M]- 266.12720 162.3
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