CID 131752452

Distichonic acid b

Structural Information

Molecular Formula
C10H18N2O8
SMILES
C(CNC(CC(NCC(=O)O)O)C(=O)O)C(C(=O)O)O
InChI
InChI=1S/C10H18N2O8/c13-6(10(19)20)1-2-11-5(9(17)18)3-7(14)12-4-8(15)16/h5-7,11-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)
InChIKey
MQDGZZFOZKWSKP-UHFFFAOYSA-N
Compound name
2-[(3-carboxy-3-hydroxypropyl)amino]-4-(carboxymethylamino)-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.10632 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11360 163.2
[M+Na]+ 317.09554 163.4
[M-H]- 293.09904 155.6
[M+NH4]+ 312.14014 173.0
[M+K]+ 333.06948 164.1
[M+H-H2O]+ 277.10358 156.5
[M+HCOO]- 339.10452 176.5
[M+CH3COO]- 353.12017 198.4
[M+Na-2H]- 315.08099 159.0
[M]+ 294.10577 160.2
[M]- 294.10687 160.2
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

No patent data available for this compound.