CID 12953536

Boc-d-ser-obzl

Structural Information

Molecular Formula
C15H21NO5
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-17)13(18)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKey
BQADRZHPZVQGCW-GFCCVEGCSA-N
Compound name
benzyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

295.14197 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 169.3
[M+Na]+ 318.13119 172.9
[M-H]- 294.13469 170.9
[M+NH4]+ 313.17579 183.3
[M+K]+ 334.10513 172.4
[M+H-H2O]+ 278.13923 162.5
[M+HCOO]- 340.14017 188.4
[M+CH3COO]- 354.15582 200.6
[M+Na-2H]- 316.11664 171.5
[M]+ 295.14142 171.8
[M]- 295.14252 171.8
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