CID 55290726

71776-75-5

Structural Information

Molecular Formula
C6H13NO3
SMILES
C[C@H]([C@@H](C(=O)OC)N)OC
InChI
InChI=1S/C6H13NO3/c1-4(9-2)5(7)6(8)10-3/h4-5H,7H2,1-3H3/t4-,5+/m1/s1
InChIKey
ZGSFKAVIRXLMRI-UHNVWZDZSA-N
Compound name
methyl (2S,3R)-2-amino-3-methoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

147.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.096816 132.1
[M+Na]+ 170.078758 138.1
[M-H]- 146.082264 132.1
[M+NH4]+ 165.123363 152.9
[M+K]+ 186.052698 139.7
[M+H-H2O]+ 130.086800 127.1
[M+HCOO]- 192.087741 154.3
[M+CH3COO]- 206.103391 178.3
[M+Na-2H]- 168.064206 134.5
[M]+ 147.08899142 133.2
[M]- 147.09008858 133.2
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