CID 2724875

O-methyl-l-threonine

Structural Information

Molecular Formula
C5H11NO3
SMILES
C[C@H]([C@@H](C(=O)O)N)OC
InChI
InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
InChIKey
FYCWLJLGIAUCCL-DMTCNVIQSA-N
Compound name
(2S,3R)-2-amino-3-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1643
Patents

133.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.4
[M+Na]+ 156.06312 134.6
[M+NH4]+ 151.10772 133.5
[M+K]+ 172.03706 132.8
[M-H]- 132.06662 125.1
[M+Na-2H]- 154.04857 128.7
[M]+ 133.07335 127.2
[M]- 133.07445 127.2
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