CID 1549483

Boc-thr(bzl)-oh

Structural Information

Molecular Formula
C16H23NO5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1
InChI
InChI=1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)/t11-,13+/m1/s1
InChIKey
CTXPLTPDOISPTE-YPMHNXCESA-N
Compound name
(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1803
Patents

309.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 172.2
[M+Na]+ 332.14684 178.9
[M+NH4]+ 327.19144 176.2
[M+K]+ 348.12078 177.1
[M-H]- 308.15034 170.4
[M+Na-2H]- 330.13229 174.3
[M]+ 309.15707 172.1
[M]- 309.15817 172.1
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

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