CID 176472578

2,3,4-trihydroxy-5-(methylamino)pentanoic acid

Structural Information

Molecular Formula
C6H13NO5
SMILES
CNCC(C(C(C(=O)O)O)O)O
InChI
InChI=1S/C6H13NO5/c1-7-2-3(8)4(9)5(10)6(11)12/h3-5,7-10H,2H2,1H3,(H,11,12)
InChIKey
OMISZBTXLQWOAG-UHFFFAOYSA-N
Compound name
2,3,4-trihydroxy-5-(methylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07938 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 139.1
[M+Na]+ 202.068598 142.8
[M-H]- 178.072104 133.6
[M+NH4]+ 197.113203 155.4
[M+K]+ 218.042538 142.8
[M+H-H2O]+ 162.076640 134.1
[M+HCOO]- 224.077581 155.1
[M+CH3COO]- 238.093231 175.3
[M+Na-2H]- 200.054046 139.0
[M]+ 179.07883142 135.7
[M]- 179.07992858 135.7
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

No patent data available for this compound.