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

1881
Patents

133.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 128.0
[M+Na]+ 156.063118 133.9
[M-H]- 132.066624 126.6
[M+NH4]+ 151.107723 148.5
[M+K]+ 172.037058 134.8
[M+H-H2O]+ 116.071160 123.3
[M+HCOO]- 178.072101 148.9
[M+CH3COO]- 192.087751 173.4
[M+Na-2H]- 154.048566 130.3
[M]+ 133.07335142 126.8
[M]- 133.07444858 126.8
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