CID 15460346

Boc-o-methyl-l-threonine

Structural Information

Molecular Formula
C10H19NO5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC
InChI
InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1
InChIKey
VWSUOKFUIPMDDX-RQJHMYQMSA-N
Compound name
(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

233.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 152.8
[M+Na]+ 256.11555 157.8
[M+NH4]+ 251.16015 156.5
[M+K]+ 272.08949 157.8
[M-H]- 232.11905 148.3
[M+Na-2H]- 254.10100 152.0
[M]+ 233.12578 151.6
[M]- 233.12688 151.6
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