CID 489187

Cbz-l-homoserine

Structural Information

Molecular Formula
C12H15NO5
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCO)C(=O)O
InChI
InChI=1S/C12H15NO5/c14-7-6-10(11(15)16)13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKey
UBXPAGGJJMSWLC-JTQLQIEISA-N
Compound name
(2S)-4-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

185
Patents

253.09502 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 156.9
[M+Na]+ 276.08424 164.4
[M+NH4]+ 271.12884 161.5
[M+K]+ 292.05818 161.6
[M-H]- 252.08774 155.5
[M+Na-2H]- 274.06969 159.6
[M]+ 253.09447 156.9
[M]- 253.09557 156.9
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