CID 101249090

Chebi:228167

Structural Information

Molecular Formula
C12H24N2O7
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCCCN)C(=O)O)O)O)O)O
InChI
InChI=1S/C12H24N2O7/c13-4-2-1-3-7(11(18)19)14-6-12(20)10(17)9(16)8(15)5-21-12/h7-10,14-17,20H,1-6,13H2,(H,18,19)/t7-,8+,9+,10-,12+/m0/s1
InChIKey
MJTOFLFMNGKVNS-TYCYOEEFSA-N
Compound name
(2S)-6-amino-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15836 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.165636 169.7
[M+Na]+ 331.147578 171.5
[M-H]- 307.151084 165.7
[M+NH4]+ 326.192183 180.4
[M+K]+ 347.121518 171.0
[M+H-H2O]+ 291.155620 164.2
[M+HCOO]- 353.156561 181.1
[M+CH3COO]- 367.172211 200.2
[M+Na-2H]- 329.133026 169.0
[M]+ 308.15781142 165.1
[M]- 308.15890858 165.1
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.