CID 100116

Boc-l-threonine

Structural Information

Molecular Formula
C9H17NO5
SMILES
CC(C(C(=O)O)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)
InChIKey
LLHOYOCAAURYRL-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1849
Patents

219.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11795 149.1
[M+Na]+ 242.09989 153.7
[M+NH4]+ 237.14449 152.5
[M+K]+ 258.07383 154.2
[M-H]- 218.10339 144.0
[M+Na-2H]- 240.08534 147.8
[M]+ 219.11012 147.5
[M]- 219.11122 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe