CID 720

2-amino-6-[[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]amino]hexanoic acid

Structural Information

Molecular Formula
C12H22N2O7
SMILES
C(CCNC1C(=O)C(C(C(O1)CO)O)O)CC(C(=O)O)N
InChI
InChI=1S/C12H22N2O7/c13-6(12(19)20)3-1-2-4-14-11-10(18)9(17)8(16)7(5-15)21-11/h6-9,11,14-17H,1-5,13H2,(H,19,20)
InChIKey
ZRMPOBPOYIGDMF-UHFFFAOYSA-N
Compound name
2-amino-6-[[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.1427 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14998 169.4
[M+Na]+ 329.13192 171.9
[M-H]- 305.13542 167.0
[M+NH4]+ 324.17652 179.1
[M+K]+ 345.10586 171.1
[M+H-H2O]+ 289.13996 162.6
[M+HCOO]- 351.14090 182.6
[M+CH3COO]- 365.15655 203.3
[M+Na-2H]- 327.11737 166.9
[M]+ 306.14215 165.8
[M]- 306.14325 165.8
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.